Glycoside
GD141313
Name:
2-{[2,7-dihydroxy-1-(1-hydroxyethyl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-8-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H46O9Smiles:
CC(O)C1C(O)CC2C3CCC4CC(O)C(OC5OC(CO)C(O)C(O)C5O)CC4(C)C3CCC21CAglycone:
CC(O)C1C(O)CC2C3CCC4CC(O)C(O)CC4(C)C3CCC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 514.66 | Num_heavy_atoms: | 36 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD56940
Formula: C21H36O4
Smiles:
CC(O)C1C(O)CC2C3CCC4CC(O)C(O)CC4(C)C3CCC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 352.52 | Num_heavy_atoms: | 25 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
