Glycoside
GD131199
Name:
NoneFormula:
C53H86O22Smiles:
COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3COC(OC4CCC5(C)C6=CC(O)C78C(=O)OC(C)(CCCC(C)C)C7CCC8C6CCC5C4(C)C)C(OC4OC(C)C(O)C(O)C4O)C3O)C2O)C1OAglycone:
CC(C)CCCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2CCC13Sugarmoiety:
COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3COC(O)C(OC4OC(C)C(O)C(O)C4O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 9 |
| HBD: | 11 | FractionCSP3: | 0.94 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 15 |
| MolWt: | 1075.25 | Num_heavy_atoms: | 75 |
| TPSA: | 331.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD46498
Formula: C29H46O4
Smiles:
CC(C)CCCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2CCC13| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 5.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 458.68 | Num_heavy_atoms: | 33 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
