Glycoside
GD114718
Name:
2-{[9a,11a-dimethyl-1-(6-methylhept-3-en-2-yl)-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}oxane-3,4,5-triolFormula:
C32H52O5Smiles:
CC(C)CC=CC(C)C1CCC2C3=CCC4CC(OC5OCC(O)C(O)C5O)CCC4(C)C3CCC21CAglycone:
CC(C)CC=CC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC21CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 5.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 516.76 | Num_heavy_atoms: | 37 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
Unique Aglycone
AD45232
Formula: C27H44O
Smiles:
CC(C)CC=CC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC21C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 7.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 384.65 | Num_heavy_atoms: | 28 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
