Glycoside
GD026583
Name:
NoneFormula:
C46H53O24NSmiles:
COc1cc(C=CC(=O)O[C@@H]2[C@H](O)[C@H](Oc3cc4c(cc3O)C[C@H](C(=O)O)N4C(=O)C=Cc3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)ccc1OAglycone:
COc1cc(C=CC(=O)O)ccc1O.O=C(O)C1Cc2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.46 |
| AlogP: | -3.39 | Num_rotatable_bonds: | 16 |
| MolWt: | 1003.91 | Num_heavy_atoms: | 71 |
| TPSA: | 391.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD03435
Formula: C18H15O6N
Smiles:
O=C(O)C1Cc2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.11 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 341.32 | Num_heavy_atoms: | 25 |
| TPSA: | 118.3 | NumAromaticRings: | 2 |
