Glycoside
GD142492
Name:
2-{[1-(5,6-dimethylhept-3-en-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C34H54O6Smiles:
CC(C)C(C)C=CC(C)C1CCC2C3=CCC4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3=CCC21CAglycone:
CC(C)C(C)C=CC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3=CCC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 5.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 558.8 | Num_heavy_atoms: | 40 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD57336
Formula: C28H44O
Smiles:
CC(C)C(C)C=CC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3=CCC21C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.79 |
| AlogP: | 7.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 396.66 | Num_heavy_atoms: | 29 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
