Glycoside
GD026920
Name:
3Beta-[(O-Beta-D-Glucopyranosyl-(1-2)-Alpha-L-Arabinopyranosyl)Oxy]-11Alp+Formula:
C41H64O14Smiles:
CC1(C)CC[C@@]23CC[C@]4(C)[C@@](OC2=O)([C@H]3C1)[C@@H]1O[C@H]1[C@@H]1[C@]2(C)CC[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@](C)(CO)[C@H]2CC[C@]14CAglycone:
CC1(C)CCC23CCC4(C)C5(C)CCC6C(C)(CO)C(O)CCC6(C)C5C5OC5C4(OC2=O)C3C1Sugarmoiety:
OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.98 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 780.95 | Num_heavy_atoms: | 55 |
| TPSA: | 217.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD17721
Formula: C30H46O5
Smiles:
CC1(C)CCC23CCC4(C)C5(C)CCC6C(C)(CO)C(O)CCC6(C)C5C5OC5C4(OC2=O)C3C1| HBA: | 5 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 4.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 79.29 | NumAromaticRings: | 0 |
