Glycoside
GD001381
Name:
NoneFormula:
C31H33O9NSmiles:
COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)cc2)cc1Aglycone:
COc1ccc(N2C(=O)C(CCCc3ccccc3)C2c2ccc(O)cc2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 10 |
| MolWt: | 563.6 | Num_heavy_atoms: | 41 |
| TPSA: | 145.99 | NumAromaticRings: | 3 |
Unique Aglycone
AD01282
Formula: C25H25O3N
Smiles:
COc1ccc(N2C(=O)C(CCCc3ccccc3)C2c2ccc(O)cc2)cc1| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 5.13 | Num_rotatable_bonds: | 7 |
| MolWt: | 387.48 | Num_heavy_atoms: | 29 |
| TPSA: | 49.77 | NumAromaticRings: | 3 |
