Glycoside
GD122296
Name:
24-O-Beta-D-Glucopyranosyloxy-16Beta-Hydroxycholest-5-En-3Beta-Yl-O-Beta-+Formula:
C45H76O18Smiles:
CC(C)C(CCC(C)C1C(O)CC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CCC4(C)C3CCC21C)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)C(O)CCC(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.96 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 14 |
| MolWt: | 905.09 | Num_heavy_atoms: | 63 |
| TPSA: | 298.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD49267
Formula: C27H46O3
Smiles:
CC(C)C(O)CCC(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 418.66 | Num_heavy_atoms: | 30 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
