Glycoside
GD156136
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4b,7,7,10a-tetramethyl-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:
C40H62O13Smiles:
CC(=O)C(C)CCC1(C(=O)OC2OC(CO)C(O)C(O)C2O)C=C2C=CC3C(C)(CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC43C)C2CC1Aglycone:
CC(=O)C(C)CCC1(C(=O)O)C=C2C=CC3C(C)(CCC4C(C)(C)C(O)CCC43C)C2CC1Sugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.85 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 9 |
| MolWt: | 750.92 | Num_heavy_atoms: | 53 |
| TPSA: | 212.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD61857
Formula: C29H44O4
Smiles:
CC(=O)C(C)CCC1(C(=O)O)C=C2C=CC3C(C)(CCC4C(C)(C)C(O)CCC43C)C2CC1| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 6.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 456.67 | Num_heavy_atoms: | 33 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
