Glycoside
GD147842
Name:
(22S)-16Beta-[(Beta-D-Glucopyranosyl)Oxy]-22-Hydroxycholest-5-En-3Beta-Yl+Formula:
C45H76O17Smiles:
CC(C)CCC(O)C(C)C1C(OC2OC(CO)C(O)C(O)C2O)CC2C3CC=C4CC(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC21CAglycone:
CC(C)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.96 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 13 |
| MolWt: | 889.09 | Num_heavy_atoms: | 62 |
| TPSA: | 277.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD16126
Formula: C27H46O3
Smiles:
CC(C)CCC(O)C(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 |
