Glycoside
GD148145
Name:
Dioscoreside BFormula:
C51H82O24Smiles:
CC(=O)C1C(OC(=O)C(O)CC(C)COC2OC(CO)C(O)C(O)C2O)CC2C3CC=C4CC(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC21CAglycone:
CC(=O)C1C(OC(=O)C(O)CC(C)CO)CC2C3CC=C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 8 |
| HBD: | 13 | FractionCSP3: | 0.92 |
| AlogP: | -3.23 | Num_rotatable_bonds: | 16 |
| MolWt: | 1079.19 | Num_heavy_atoms: | 75 |
| TPSA: | 380.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD59297
Formula: C27H42O6
Smiles:
CC(=O)C1C(OC(=O)C(O)CC(C)CO)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 462.63 | Num_heavy_atoms: | 33 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
