Glycoside
GD002014
Name:
Urginin BFormula:
C32H42O12Smiles:
CC(=O)O[C@@H]1C[C@]2(O)[C@@H]3CCC4=C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C=O)[C@H]3CC[C@@]2(C)[C@H]1c1ccc(=O)oc1Aglycone:
CC(=O)OC1CC2(O)C3CCC4=CC(O)CCC4(C=O)C3CCC2(C)C1c1ccc(=O)oc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.72 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 618.68 | Num_heavy_atoms: | 44 |
| TPSA: | 193.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD01961
Formula: C26H32O7
Smiles:
CC(=O)OC1CC2(O)C3CCC4=CC(O)CCC4(C=O)C3CCC2(C)C1c1ccc(=O)oc1| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.65 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 456.54 | Num_heavy_atoms: | 33 |
| TPSA: | 114.04 | NumAromaticRings: | 1 |
