Glycoside
GD140475
Name:
2-[(1-{1-[4-ethyl-5-methyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxolan-2-yl]ethyl}-2-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]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C41H68O14Smiles:
CCC1CC(C(C)C2C(O)CC3C4=CCC5CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC32C)OC1(C)COC1OC(CO)C(O)C(O)C1OAglycone:
CCC1CC(C(C)C2C(O)CC3C4=CCC5CC(O)CCC5(C)C4CCC32C)OC1(C)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 10 |
| MolWt: | 784.98 | Num_heavy_atoms: | 55 |
| TPSA: | 228.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD04972
Formula: C29H48O4
Smiles:
CCC1CC(C(C)C2C(O)CC3C4=CCC5CC(O)CCC5(C)C4CCC32C)OC1(C)CO| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 460.7 | Num_heavy_atoms: | 33 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
