Glycoside
GD152290
Name:
4-[3-(9a,11a-dimethyl-5-oxo-7-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-2-oxobutyl]-3,5-dimethyloxolan-2-oneFormula:
C41H64O15Smiles:
CC1OC(=O)C(C)C1CC(=O)C(C)C1CCC2C3CC(=O)C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC1OC(=O)C(C)C1CC(=O)C(C)C1CCC2C3CC(=O)C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 10 |
| MolWt: | 796.95 | Num_heavy_atoms: | 56 |
| TPSA: | 238.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD60653
Formula: C29H44O5
Smiles:
CC1OC(=O)C(C)C1CC(=O)C(C)C1CCC2C3CC(=O)C4CC(O)CCC4(C)C3CCC12C| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 4.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 472.67 | Num_heavy_atoms: | 34 |
| TPSA: | 80.67 | NumAromaticRings: | 0 |
