Glycoside
GD129691
Name:
NoneFormula:
C59H96O27Smiles:
COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(O)C(CO)OC(OC4C(OC5CCC6(C)C7=C(CCC6C5(C)C)C5(C)CCC6C(C)(CC(O)CC(C)C)OC(=O)C65CC7)OCC(OC5OC(CO)C(O)C(O)C5O)C4O)C3O)C2O)C1OAglycone:
CC(C)CC(O)CC1(C)OC(=O)C23CCC4=C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13Sugarmoiety:
COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(O)C(CO)OC(OC4C(O)OCC(OC5OC(CO)C(O)C(O)C5O)C4O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 10 |
| HBD: | 14 | FractionCSP3: | 0.95 |
| AlogP: | -2.76 | Num_rotatable_bonds: | 18 |
| MolWt: | 1237.39 | Num_heavy_atoms: | 86 |
| TPSA: | 411.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD52543
Formula: C30H48O4
Smiles:
CC(C)CC(O)CC1(C)OC(=O)C23CCC4=C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 6.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
Sugarmoiety
SD07124
COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(O)C(CO)OC(OC4C(O)OCC(OC5OC(CO)C(O)C(O)C5O)C4O)C3O)C2O)C1O