Glycoside
GD117068
Name:
NoneFormula:
C57H88O25Smiles:
CC1OC(OC2C(OC(=O)C34C=CC5(C)C(=CCC6C7(C)CCC(OC8OC(C(=O)O)C(O)C(O)C8O)C(C)(C)C7CCC65C)C3CC(C)(C)CC4)OCC(O)C2O)C(O)C(OC2OCC(O)(CO)C2O)C1OC1OCC(O)(CO)C1OAglycone:
CC1(C)CCC2(C(=O)O)C=CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(OC2OCC(O)(CO)C2O)C1OC1OCC(O)(CO)C1O.O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 10 |
| HBD: | 13 | FractionCSP3: | 0.89 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 13 |
| MolWt: | 1173.31 | Num_heavy_atoms: | 82 |
| TPSA: | 389.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD46615
Formula: C30H46O3
Smiles:
CC1(C)CCC2(C(=O)O)C=CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 7.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 454.7 | Num_heavy_atoms: | 33 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
Sugarmoiety
SD04977
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(OC2OCC(O)(CO)C2O)C1OC1OCC(O)(CO)C1O.O=C(O)C1OC(O)C(O)C(O)C1O