Glycoside
GD140226
Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-1-[6-(1-hydroxyethyl)-2-oxo-6-(propan-2-yl)oxan-3-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-2-yl acetateFormula:
C43H66O16Smiles:
CC(=O)OC1CC2C3=CCC4CC(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3=CCC2(C)C1C1CCC(C(C)C)(C(C)O)OC1=OAglycone:
CC(=O)OC1CC2C3=CCC4CC(O)CCC4(C)C3=CCC2(C)C1C1CCC(C(C)C)(C(C)O)OC1=OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.86 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 10 |
| MolWt: | 838.98 | Num_heavy_atoms: | 59 |
| TPSA: | 251.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD56539
Formula: C31H46O6
Smiles:
CC(=O)OC1CC2C3=CCC4CC(O)CCC4(C)C3=CCC2(C)C1C1CCC(C(C)C)(C(C)O)OC1=O| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 5.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 514.7 | Num_heavy_atoms: | 37 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
