Glycoside
GD150952
Name:
2-{[1-(5,6-dimethylhept-3-en-2-yl)-5a-hydroxy-9a,11a-dimethyl-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:
C33H54O6Smiles:
CC(C)C(C)C=CC(C)C1CCC2C3=CCC4(O)CC(OC5OCC(O)C(O)C5O)CCC4(C)C3CCC21CAglycone:
CC(C)C(C)C=CC(C)C1CCC2C3=CCC4(O)CC(O)CCC4(C)C3CCC21CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 4.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 546.79 | Num_heavy_atoms: | 39 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD60250
Formula: C28H46O2
Smiles:
CC(C)C(C)C=CC(C)C1CCC2C3=CCC4(O)CC(O)CCC4(C)C3CCC21C| HBA: | 2 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 6.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 414.67 | Num_heavy_atoms: | 30 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
