Glycoside
GD142413
Name:
1-(3,4-dihydroxy-5,6-dimethylheptan-2-yl)-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-5-oneFormula:
C34H58O9Smiles:
CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 8 |
| MolWt: | 610.83 | Num_heavy_atoms: | 43 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD57313
Formula: C28H48O4
Smiles:
CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(O)CCC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.96 |
| AlogP: | 4.84 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.69 | Num_heavy_atoms: | 32 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
