Glycoside
GD151334
Name:
1-(3a-hydroxy-9a,11a-dimethyl-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)ethan-1-oneFormula:
C33H54O13Smiles:
CC(=O)C1CCC2(O)C3CCC4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(=O)C1CCC2(O)C3CCC4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.97 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 658.78 | Num_heavy_atoms: | 46 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD54583
Formula: C21H34O3
Smiles:
CC(=O)C1CCC2(O)C3CCC4CC(O)CCC4(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 3.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 334.5 | Num_heavy_atoms: | 24 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
