Glycoside
GD142137
Name:
Capilliposide BFormula:
C58H96O24Smiles:
CCCCCC(=O)OC1CC(C)(C)CC2C13C(O)CC1(C)C2(CCC2(C)C4CCC(OC5COC(OC6OC(CO)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC21C)OC3OAglycone:
CCCCCC(=O)OC1CC(C)(C)CC2C13C(O)CC1(C)C2(CCC2(C)C4CCC(O)C(C)(C)C4CCC21C)OC3OSugarmoiety:
OCC1OC(OC2C(O)COC(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 10 |
| HBD: | 13 | FractionCSP3: | 0.98 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 15 |
| MolWt: | 1177.38 | Num_heavy_atoms: | 82 |
| TPSA: | 372.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD57209
Formula: C36H60O6
Smiles:
CCCCCC(=O)OC1CC(C)(C)CC2C13C(O)CC1(C)C2(CCC2(C)C4CCC(O)C(C)(C)C4CCC21C)OC3O| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 6.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 588.87 | Num_heavy_atoms: | 42 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
