IngredientID 41780
(23s,25r)-17α,23-epoxy-29-hydroxy-3β-[(o-α-l-rhamnopyranosyl-(1→2)-o-[o-β-d-glu-copyranosyl-(1→2)-β-d-glucopyranosyl-(1→3)]-o-β-d-glucopyranosyl-(1→2)-α-l-arabinopyranosyl-(1→6)-β-d-glucopyranosyl)oxy]lanost-8-en-23,26-olide
C65H104O33
Relationship Network
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Herb: 1Ingredient: 1Target: 2Links: 5
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 41780
- Core Entity Id
- 84791
- Source Entity Count
- 1
- Preferred Name
- (23s,25r)-17α,23-epoxy-29-hydroxy-3β-[(o-α-l-rhamnopyranosyl-(1→2)-o-[o-β-d-glu-copyranosyl-(1→2)-β-d-glucopyranosyl-(1→3)]-o-β-d-glucopyranosyl-(1→2)-α-l-arabinopyranosyl-(1→6)-β-d-glucopyranosyl)oxy]lanost-8-en-23,26-olide
- Name En
- Pubchem Id
- 162967739
- Smiles Canonical
- CC1CC2(CC(C)C3(CCC4(C)C5=C(CCC43C)C3(C)CCC(OC4OC(COC6OCC(O)C(O)C6OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(O)C(O)C4O)C(C)(CO)C3CC5)O2)OC1=O
- Molecular Formula
- C65H104O33
- Molecular Weight
- 1412.6500
- Inchikey
- YMUZEIXOJKTBFW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C65H104O33/c1-24-16-64(97-53(24)84)17-25(2)65(98-64)15-14-62(6)28-8-9-34-60(4,27(28)10-13-63(62,65)7)12-11-35(61(34,5)23-69)92-55-47(82)44(79)40(75)33(91-55)22-86-57-50(37(72)29(70)21-85-57)95-59-52(96-54-46(81)42(77)36(71)26(3)87-54)49(41(76)32(20-68)90-59)93-58-51(45(80)39(74)31(19-67)89-58)94-56-48(83)43(78)38(73)30(18-66)88-56/h24-26,29-52,54-59,66-83H,8-23H2,1-7H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -4.8000
- Num H Donors
- 18
- Num H Acceptors
- 33
- Num Rotatable Bonds
- 17
- Drug Likeness
- Polar Surface Area
- 510.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(23S,25R)-17α,23-Epoxy-29-hydroxy-3β-[(O-α-L-rhamnopyranos-yl-(1→2)-O-[O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→2)-α-L-arabinopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]lanost-8-en-23,26-olide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(23S,25R)-17α,23-Epoxy-29-hydroxy-3β-[(O-α-L-rhamnopyranos-yl-(1→2)-O-[O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→2)-α-L-arabinopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]lanost-8-en-23,26-olide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
雪光花
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XUE GUANG HUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Glory-of-the-snow
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(23S,25R)-17α,23-Epoxy-29-hydroxy-3β-[(O-α-L-rhamnopyranos-yl-(1→2)-O-[O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→2)-α-L-arabinopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]lanost-8-en-23,26-olide雪光花XUE GUANG HUAGlory-of-the-snow
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN005709TCMBANKIN022380
Etcm Ingredient
(23S,25R)-17α,23-Epoxy-29-hydroxy-3β-[(O-α-L-rhamnopyranos-yl-(1→2)-O-[O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→2)-α-L-arabinopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]lanost-8-en-23,26-olide
Itcmdb Generated
ITX-INGREDIENT-487B52BDBD1CITX-INGREDIENT-72E7DF49147C
Attributes
Merged source attributes and domain-specific metadata.
Smiles
CC1CC2(CC(C3(O2)CCC4(C3(CCC5=C4CCC6C5(CCC(C6(C)CO)OC7C(C(C(C(O7)COC8C(C(C(CO8)O)O)OC9C(C(C(C(O9)CO)O)OC2C(C(C(C(O2)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O)OC2C(C(C(C(O2)C)O)O)O)O)O)O)C)C)C)C)OC1=O
Tcm Name
雪光花
Tcm Name2
XUE GUANG HUA
Mol2 Path
/TCM_database/2007_3d_all/07133.mol2
Reference
4308
Tcm Name En
Glory-of-the-snow
Molecular Weight
1412.650
Molecular Formula
C65H104O33
Molecular Formula
C65H104O33
Fda Maximum Daily Dose (Fdamdd)
0.001
Quantitative Estimate Of Drug Likeness（Qed）
0.048