Glycoside
GD146718
Name:
6-[2-(acetyloxy)-7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9a,11a-dimethyl-5-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-3-[1-(acetyloxy)ethyl]-6-hydroxy-2-methylheptan-2-yl acetateFormula:
C47H76O19Smiles:
CC(=O)OC(C)C(CCC(C)(O)C1C(OC(C)=O)CC2C3CC(=O)C4CC(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC21C)C(C)(C)OC(C)=OAglycone:
CC(=O)OC(C)C(CCC(C)(O)C1C(OC(C)=O)CC2C3CC(=O)C4CC(O)CCC4(C)C3CCC21C)C(C)(C)OC(C)=OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 15 |
| MolWt: | 945.11 | Num_heavy_atoms: | 66 |
| TPSA: | 294.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD56005
Formula: C35H56O9
Smiles:
CC(=O)OC(C)C(CCC(C)(O)C1C(OC(C)=O)CC2C3CC(=O)C4CC(O)CCC4(C)C3CCC21C)C(C)(C)OC(C)=O| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 5.17 | Num_rotatable_bonds: | 9 |
| MolWt: | 620.82 | Num_heavy_atoms: | 44 |
| TPSA: | 136.43 | NumAromaticRings: | 0 |
