Glycoside
GD149211
Name:
1-acetyl-7,8-dihydroxy-9a,11a-dimethyl-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl 4-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentanoateFormula:
C38H62O16Smiles:
CC(=O)C1C(OC(=O)CCC(C)COC2OC(CO)C(O)C(O)C2O)CC2C3CCC4CC(O)C(O)C(OC5OCC(O)C(O)C5O)C4(C)C3CCC21CAglycone:
CC(=O)C1C(OC(=O)CCC(C)CO)CC2C3CCC4CC(O)C(O)C(O)C4(C)C3CCC21CSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 11 |
| MolWt: | 774.9 | Num_heavy_atoms: | 54 |
| TPSA: | 262.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD59670
Formula: C27H44O7
Smiles:
CC(=O)C1C(OC(=O)CCC(C)CO)CC2C3CCC4CC(O)C(O)C(O)C4(C)C3CCC21C| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 480.64 | Num_heavy_atoms: | 34 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
