Glycoside
GD128979
Name:
6-({11a-methyl-1-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C24H36O8Smiles:
CC12CCC3C4CCC(OC5OC(C(=O)O)C(O)C(O)C5O)CC4CCC3C1CCC2=OAglycone:
CC12CCC3C4CCC(O)CC4CCC3C1CCC2=OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 452.54 | Num_heavy_atoms: | 32 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD52243
Formula: C18H28O2
Smiles:
CC12CCC3C4CCC(O)CC4CCC3C1CCC2=O| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 3.57 | Num_rotatable_bonds: | 0 |
| MolWt: | 276.42 | Num_heavy_atoms: | 20 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
