Glycoside
GD135997
Name:
7-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-11-yl acetateFormula:
C37H54O13Smiles:
CC(=O)OC1CC2C(CCC3CC(OC4OC(C)C(OC5OCC(O)C(O)C5O)C(O)C4O)CCC32C)C2CCC(c3ccc(=O)oc3)C12CAglycone:
CC(=O)OC1CC2C(CCC3CC(O)CCC32C)C2CCC(c3ccc(=O)oc3)C12CSugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.84 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 706.83 | Num_heavy_atoms: | 50 |
| TPSA: | 194.58 | NumAromaticRings: | 1 |
Unique Aglycone
AD53171
Formula: C26H36O5
Smiles:
CC(=O)OC1CC2C(CCC3CC(O)CCC32C)C2CCC(c3ccc(=O)oc3)C12C| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 428.57 | Num_heavy_atoms: | 31 |
| TPSA: | 76.74 | NumAromaticRings: | 1 |
