Glycoside
GD143610
Name:
Caryocaroside Ii-23Formula:
C54H86O24Smiles:
CC1OC(OC2C(O)C(CO)OC(OC3C(O)C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC56C)C4(C)CO)OC(C(=O)O)C3O)C2O)C(O)C(O)C1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)C(CO)OC(OC3C(O)C(O)OC(C(=O)O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 9 |
| HBD: | 14 | FractionCSP3: | 0.93 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 12 |
| MolWt: | 1119.26 | Num_heavy_atoms: | 78 |
| TPSA: | 391.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD00356
Formula: C30H48O4
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 6.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
Sugarmoiety
SD04815
CC1OC(OC2C(O)C(CO)OC(OC3C(O)C(O)OC(C(=O)O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O