Glycoside
GD127493
Name:
3-o-beta-d-glucuronopyranosyl-quillaic acid-28-o-alpha-l-rhamnopyranosyl-+Formula:
C59H94O28Smiles:
CC1OC(OC2C(OC3C(O)C(COC4OC(CO)C(O)C(O)C4O)OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OC(CO)C(O)C(O)C8O)C(C)(C=O)C7CCC6(C)C4(C)CC5O)C3O)OCC(O)C2O)C(O)C(O)C1OAglycone:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(OC3C(O)C(O)OC(COC4OC(CO)C(O)C(O)C4O)C3O)OCC(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 10 |
| HBD: | 16 | FractionCSP3: | 0.93 |
| AlogP: | -4.39 | Num_rotatable_bonds: | 14 |
| MolWt: | 1251.37 | Num_heavy_atoms: | 87 |
| TPSA: | 450.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD00118
Formula: C30H46O5
Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 5.38 | Num_rotatable_bonds: | 2 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
Sugarmoiety
SD06784
CC1OC(OC2C(OC3C(O)C(O)OC(COC4OC(CO)C(O)C(O)C4O)C3O)OCC(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O