Glycoside
GD005792
Name:
3Beta-[(Beta-D-Glucopyranosyl)Oxy]-17Alpha-Hydroxy-16Beta-[(O-Beta-D-Xylopyranosyl)-(1->3)-2-O-Acetyl-Alpha-L-Arabinopyranosyloxy]Cholest-5-En-22-OneFormula:
C45H72O18Smiles:
CC(=O)O[C@@H]1[C@H](O[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@@]2(O)[C@H](C)C(=O)CCC(C)C)OC[C@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(C)CCC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OC1OCC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 13 |
| MolWt: | 901.05 | Num_heavy_atoms: | 63 |
| TPSA: | 280.82 | 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 |
