Glycoside
GD132946
Name:
Dioscoreanoside DFormula:
C51H82O23Smiles:
CC1OC(OC2C(C)OC(OC3C(CO)OC(OC4CCC5(C)C(=CCC6C5CCC5(C)C6CC6OC7(OCC(C)(O)CC7O)C(C)C65O)C4)C(OC4OC(C)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1OAglycone:
CC1C2(OCC(C)(O)CC2O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C21OSugarmoiety:
CC1OC(OC2C(C)OC(OC3C(CO)OC(O)C(OC4OC(C)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 10 |
| HBD: | 13 | FractionCSP3: | 0.96 |
| AlogP: | -2.71 | Num_rotatable_bonds: | 9 |
| MolWt: | 1063.19 | Num_heavy_atoms: | 74 |
| TPSA: | 355.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD53822
Formula: C27H42O6
Smiles:
CC1C2(OCC(C)(O)CC2O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C21O| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 0 |
| MolWt: | 462.63 | Num_heavy_atoms: | 33 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
