Glycoside
GD146231
Name:
Dioscoreanoside JFormula:
C39H62O15Smiles:
CC1OC(OC2C(CO)OC(OC3CCC4(C)C(=CCC5C4CCC4(C)C5CC5OC6(OCC(CO)CC6O)C(C)C54O)C3)C(O)C2O)C(O)C(O)C1OAglycone:
CC1C2(OCC(CO)CC2O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C21OSugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 770.91 | Num_heavy_atoms: | 54 |
| TPSA: | 237.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD58650
Formula: C27H42O6
Smiles:
CC1C2(OCC(CO)CC2O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C21O| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 462.63 | Num_heavy_atoms: | 33 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
