Glycoside
GD142810
Name:
Ardisimamilloside AFormula:
C53H86O23Smiles:
CC1OC(OC2C(OC3COC(OC4CCC5(C)C(CCC6(C)C5CCC57OC(O)C8(CCC(C)(C=O)CC85)C(O)CC67C)C4(C)C)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
CC1(C=O)CCC23C(O)CC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5CCC4(OC2O)C3C1Sugarmoiety:
CC1OC(OC2C(OC3COC(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 10 |
| HBD: | 13 | FractionCSP3: | 0.98 |
| AlogP: | -2.19 | Num_rotatable_bonds: | 11 |
| MolWt: | 1091.25 | Num_heavy_atoms: | 76 |
| TPSA: | 363.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD57464
Formula: C30H48O5
Smiles:
CC1(C=O)CCC23C(O)CC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5CCC4(OC2O)C3C1| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 4.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
