Glycoside
GD142571
Name:
[3a-hydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methyl acetateFormula:
C31H46O11Smiles:
CC(=O)OCC12CCC(OC3OC(CO)C(O)C(O)C3O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OAglycone:
CC(=O)OCC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.87 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 6 |
| MolWt: | 594.7 | Num_heavy_atoms: | 42 |
| TPSA: | 172.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD51707
Formula: C25H36O6
Smiles:
CC(=O)OCC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 432.56 | Num_heavy_atoms: | 31 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
