Glycoside
GD023861
Name:
16Beta-[(Alpha-L-Arabinopyranosyl)Oxy]-3Beta-[(Beta-D-Glucopyranosyl)Oxy]-17Alpha-Hydroxycholest-5-En-22-OneFormula:
C38H62O13Smiles:
CC(C)CCC(=O)[C@H](C)[C@]1(O)[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C[C@@H]2[C@@H]3CC=C4C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]3CC[C@]21CAglycone:
CC(C)CCC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 10 |
| MolWt: | 726.9 | Num_heavy_atoms: | 51 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD01328
Formula: C27H44O4
Smiles:
CC(C)CCC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 4.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
