Glycoside
GD125484
Name:
1-{7-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl)oxy]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}ethan-1-oneFormula:
C39H64O17Smiles:
CC(=O)C1CCC2C3CCC4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.97 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 10 |
| MolWt: | 804.92 | Num_heavy_atoms: | 56 |
| TPSA: | 274.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD44023
Formula: C21H34O2
Smiles:
CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.95 |
| AlogP: | 4.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 318.5 | Num_heavy_atoms: | 23 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
