Glycoside
GD027744
Name:
NoneFormula:
C62H100O30Smiles:
CC1CC[C@]2(OC1)OC1C[C@@H]3[C@@H]4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(OC8OC(C)C(OC9OC(C)C(O)C(O)C9O)C(O)C8O)C(O)C7O)C(O)C6O)CCC5(C)[C@H]4CCC3(C)C1[C@H]2CAglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(OC2C(C)OC(OC3C(CO)OC(OC4C(OC5C(CO)OC(O)C(O)C5O)OC(CO)C(O)C4OC4OCC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 12 |
| HBD: | 16 | FractionCSP3: | 0.97 |
| AlogP: | -4.65 | Num_rotatable_bonds: | 15 |
| MolWt: | 1325.45 | Num_heavy_atoms: | 92 |
| TPSA: | 452.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD00005
Formula: C27H42O3
Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 5.71 | Num_rotatable_bonds: | 0 |
| MolWt: | 414.63 | Num_heavy_atoms: | 30 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
Sugarmoiety
SD02795
CC1OC(OC2C(C)OC(OC3C(CO)OC(OC4C(OC5C(CO)OC(O)C(O)C5O)OC(CO)C(O)C4OC4OCC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O