Glycoside
GD136106
Name:
1-(1-{6-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-5-methyloxan-2-yl}ethyl)-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-oneFormula:
C40H64O13Smiles:
COC1C(O)C(C)OC(OC2OC(C(C)C3CCC4C5=CC(=O)C6CC(OC7OC(CO)C(O)C(O)C7O)CCC6(C)C5CCC43C)CCC2C)C1OAglycone:
CC1CCC(C(C)C2CCC3C4=CC(=O)C5CC(O)CCC5(C)C4CCC32C)OC1OSugarmoiety:
COC1C(O)C(C)OC(O)C1O.OCC1OC(O)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
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 |
