Glycoside
GD137811
Name:
2-[(10-hydroxy-9a,11-dimethyl-1-{1-[2-(3-methylbutan-2-yl)cyclopropyl]ethyl}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C35H58O6Smiles:
CC(C)C(C)C1CC1C(C)C1CCC2C3CC=C4CC(OC5OC(C)C(O)C(O)C5O)CCC4(C)C3C(O)C(C)C12Aglycone:
CC(C)C(C)C1CC1C(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3C(O)C(C)C12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 5.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 574.84 | Num_heavy_atoms: | 41 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD55659
Formula: C29H48O2
Smiles:
CC(C)C(C)C1CC1C(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3C(O)C(C)C12| HBA: | 2 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 6.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 428.7 | Num_heavy_atoms: | 31 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
