Glycoside
GD121800
Name:
2-{[10-(5-ethyl-6-methylheptan-2-yl)-10a,11b-dimethyl-1H,2H,3H,4H,6H,6aH,7H,7aH,8H,9H,10H,10aH,11H,11aH,11bH-cyclopenta[b]phenanthren-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C35H60O6Smiles:
CCC(CCC(C)C1CCC2CC3CC=C4C(OC5OC(CO)C(O)C(O)C5O)CCCC4(C)C3CC21C)C(C)CAglycone:
CCC(CCC(C)C1CCC2CC3CC=C4C(O)CCCC4(C)C3CC21C)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 5.85 | Num_rotatable_bonds: | 9 |
| MolWt: | 576.86 | Num_heavy_atoms: | 41 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD49047
Formula: C29H50O
Smiles:
CCC(CCC(C)C1CCC2CC3CC=C4C(O)CCCC4(C)C3CC21C)C(C)C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 8.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 414.72 | Num_heavy_atoms: | 30 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
