Glycoside
GD151263
Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-1-[1-(6-methoxy-5-methyloxan-2-yl)ethyl]-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-oneFormula:
C40H64O13Smiles:
COC1OC(C(C)C2CCC3C4=CC(=O)C5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC32C)CCC1CAglycone:
COC1OC(C(C)C2CCC3C4=CC(=O)C5CC(O)CCC5(C)C4CCC32C)CCC1CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 752.94 | Num_heavy_atoms: | 53 |
| TPSA: | 193.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD60343
Formula: C28H44O4
Smiles:
COC1OC(C(C)C2CCC3C4=CC(=O)C5CC(O)CCC5(C)C4CCC32C)CCC1C| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 5.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 444.66 | Num_heavy_atoms: | 32 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
