Glycoside
GD135982
Name:
2-{[9a-formyl-3a,8-dihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-3-hydroxy-5-methyloxolane-3-carboxylic acidFormula:
C29H40O10Smiles:
CC1CC(O)(C(=O)O)C(OC2CC3CCC4C(CCC5(C)C(C6=CC(=O)OC6)CCC45O)C3(C=O)CC2O)O1Aglycone:
CC12CCC3C(CCC4CC(O)C(O)CC43C=O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1CC(O)(C(=O)O)C(O)O1Other Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 548.63 | Num_heavy_atoms: | 39 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD05910
Formula: C23H32O6
Smiles:
CC12CCC3C(CCC4CC(O)C(O)CC43C=O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 2 |
| MolWt: | 404.5 | Num_heavy_atoms: | 29 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
