Glycoside
GD011820
Name:
NoneFormula:
C34H34O13N2Smiles:
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)C(=O)Oc2ccc(O)cc2)cc1Aglycone:
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)C(=O)Oc2ccc(O)cc2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 12 |
| MolWt: | 678.65 | Num_heavy_atoms: | 49 |
| TPSA: | 218.55 | NumAromaticRings: | 4 |
Unique Aglycone
AD08980
Formula: C28H26O7N2
Smiles:
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)C(=O)Oc2ccc(O)cc2)cc1| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 5.06 | Num_rotatable_bonds: | 10 |
| MolWt: | 502.52 | Num_heavy_atoms: | 37 |
| TPSA: | 122.33 | NumAromaticRings: | 4 |
