Glycoside
GD146688
Name:
2-{[1-(5,6-dimethylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}oxane-3,4,5-triolFormula:
C33H56O5Smiles:
CC(C)C(C)CCC(C)C1CCC2C3CC=C4CC(OC5OCC(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(C)C(C)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 6.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 532.81 | Num_heavy_atoms: | 38 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
Unique Aglycone
AD46004
Formula: C28H48O
Smiles:
CC(C)C(C)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 7.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 400.69 | Num_heavy_atoms: | 29 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
