Glycoside
GD125375
Name:
3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl 4a,4b,7,7,10a-pentamethyl-2-(3-methyl-4-oxopentyl)-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b-tetradecahydrochrysene-2-carboxylateFormula:
C46H72O17Smiles:
CC(=O)C(C)CCC1(C(=O)OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C=C2C=CC3C4(C)CCC(OC5OCC(O)C(O)C5O)C(C)(C)C4CCC3(C)C2(C)CC1Aglycone:
CC(=O)C(C)CCC1(C(=O)O)C=C2C=CC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C2(C)CC1Sugarmoiety:
OC1COC(O)C(O)C1O.OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.87 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 11 |
| MolWt: | 897.06 | Num_heavy_atoms: | 63 |
| TPSA: | 271.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD45930
Formula: C30H46O4
Smiles:
CC(=O)C(C)CCC1(C(=O)O)C=C2C=CC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C2(C)CC1| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 6.58 | Num_rotatable_bonds: | 5 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
