Glycoside
GD141290
Name:
Leucospiroside AFormula:
C57H94O30Smiles:
CC1CCC2(OC1)OC1CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CC(O)C5CC(O)C(O)CC5(C)C4CCC3(C)C1C2CSugarmoiety:
OCC1OC(OC2C(O)C(CO)OC(OC3C(OC4C(CO)OC(O)C(O)C4O)OC(CO)C(O)C3OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 11 |
| HBD: | 18 | FractionCSP3: | 1.0 |
| AlogP: | -7.14 | Num_rotatable_bonds: | 15 |
| MolWt: | 1259.35 | Num_heavy_atoms: | 87 |
| TPSA: | 474.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD11487
Formula: C27H44O5
Smiles:
CC1CCC2(OC1)OC1CC3C4CC(O)C5CC(O)C(O)CC5(C)C4CCC3(C)C1C2C| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 448.64 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
Sugarmoiety
SD02863
OCC1OC(OC2C(O)C(CO)OC(OC3C(OC4C(CO)OC(O)C(O)C4O)OC(CO)C(O)C3OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O