Glycoside
GD133739
Name:
2-{[1-(5-ethyl-6-methylhept-3-en-2-yl)-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:
C34H56O5Smiles:
CCC(C=CC(C)C1CCC2C3=CCC4CC(OC5OCC(O)C(O)C5O)CCC4(C)C3CCC21C)C(C)CAglycone:
CCC(C=CC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC21C)C(C)CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 6.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 544.82 | Num_heavy_atoms: | 39 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
Unique Aglycone
AD45697
Formula: C29H48O
Smiles:
CCC(C=CC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC21C)C(C)C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 7.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 412.7 | Num_heavy_atoms: | 30 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
