Glycoside
GD040478
Name:
(2r)-2-(hydroxymethyl)-4-{[(25r)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranosideFormula:
C44H72O15Smiles:
C[C@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC=C5C[C@H](OCC[C@H](CO)CO[C@H]6O[C@H](CO)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@@H]7O)[C@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@]32C)O[C@@]12CC[C@@H](C)CO2Aglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(OCCC(CO)CO)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 12 |
| MolWt: | 841.04 | Num_heavy_atoms: | 59 |
| TPSA: | 226.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD24384
Formula: C32H52O5
Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(OCCC(CO)CO)CCC5(C)C4CCC3(C)C1C2C| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 5.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 516.76 | Num_heavy_atoms: | 37 |
| TPSA: | 68.15 | NumAromaticRings: | 0 |
