Glycoside
GD146369
Name:
NoneFormula:
C53H82O22Smiles:
COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC5CCC6(C)C7=CCC89C(=O)OC(C)(CC=CC(C)(C)O)C8C(=O)CC9(C)C7CCC6C5(C)C)OCC(O)C4O)C(O)C3O)C2O)C1OAglycone:
CC(C)(O)C=CCC1(C)OC(=O)C23CC=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CC(=O)C13Sugarmoiety:
COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.89 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 13 |
| MolWt: | 1071.22 | Num_heavy_atoms: | 75 |
| TPSA: | 328.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD58699
Formula: C30H44O5
Smiles:
CC(C)(O)C=CCC1(C)OC(=O)C23CC=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CC(=O)C13| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 5.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 484.68 | Num_heavy_atoms: | 35 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
