Glycoside
GD134631
Name:
2-({9a,11a-dimethyl-1-[5-(propan-2-yl)hept-5-en-2-yl]-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:
C35H58O5Smiles:
CC=C(CCC(C)C1CCC2C3CC=C4CC(OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)CAglycone:
CC=C(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 6.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 558.84 | Num_heavy_atoms: | 40 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
Unique Aglycone
AD45316
Formula: C29H48O
Smiles:
CC=C(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 7.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 412.7 | Num_heavy_atoms: | 30 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
