Glycoside
GD134813
Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-1-[1-(6-hydroxy-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:
C39H62O13Smiles:
CC1CCC(C(C)C2CCC3C4=CC(=O)C5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC32C)OC1OAglycone:
CC1CCC(C(C)C2CCC3C4=CC(=O)C5CC(O)CCC5(C)C4CCC32C)OC1OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 738.91 | Num_heavy_atoms: | 52 |
| TPSA: | 204.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD48356
Formula: C27H42O4
Smiles:
CC1CCC(C(C)C2CCC3C4=CC(=O)C5CC(O)CCC5(C)C4CCC32C)OC1O| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 4.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
