Glycoside
GD022720
Name:
NoneFormula:
C36H38O13N2Smiles:
COc1ccc(OC(=O)N(CC(=O)O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)[C@H](C)c2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1Aglycone:
COc1ccc(OC(=O)N(CC(=O)O)C(C)c2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 13 |
| MolWt: | 706.7 | Num_heavy_atoms: | 51 |
| TPSA: | 207.55 | NumAromaticRings: | 4 |
Unique Aglycone
AD15368
Formula: C30H30O7N2
Smiles:
COc1ccc(OC(=O)N(CC(=O)O)C(C)c2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1| HBA: | 9 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 5.93 | Num_rotatable_bonds: | 11 |
| MolWt: | 530.58 | Num_heavy_atoms: | 39 |
| TPSA: | 111.33 | NumAromaticRings: | 4 |
