Glycoside
GD148294
Name:
2-[(1-hydroxy-2-methyl-6-{3,5,7-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}heptan-3-yl)oxy]oxane-3,4,5-triolFormula:
C32H56O9Smiles:
CC(CO)C(CCC(C)C1CC(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C)OC1OCC(O)C(O)C1OAglycone:
CC(CO)C(O)CCC(C)C1CC(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 8 |
| MolWt: | 584.79 | Num_heavy_atoms: | 41 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD59352
Formula: C27H48O5
Smiles:
CC(CO)C(O)CCC(C)C1CC(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 452.68 | Num_heavy_atoms: | 32 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
