Glycoside
GD028799
Name:
Quillaic Acid 3-O-Β-Dgalactopyranosyl(1-2)-[Α-L-Rhamnopyranosyl(1-3)]-Β-D-Glucuronopyranoside）Formula:
C48H74O20Smiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O[C@@H]3CC[C@]4(C)[C@@H]5CC=C6[C@@H]7CC(C)(C)CC[C@@]7(C(=O)O)[C@H](O)C[C@@]6(C)[C@@]5(C)CC[C@H]4[C@]3(C)C=O)O[C@@H](C(=O)O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)C(C(=O)O)OC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.9 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 10 |
| MolWt: | 971.1 | Num_heavy_atoms: | 68 |
| TPSA: | 329.12 | 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 |
