Glycoside
GD003458
Name:
NoneFormula:
C34H34O14N2Smiles:
Cc1oc(-c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)cc2)nc1CCOc1ccc(CN(CC(=O)O)C(=O)Oc2ccc(O)cc2)cc1Aglycone:
Cc1oc(-c2ccc(O)cc2)nc1CCOc1ccc(CN(CC(=O)O)C(=O)Oc2ccc(O)cc2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 13 |
| MolWt: | 694.65 | Num_heavy_atoms: | 50 |
| TPSA: | 238.78 | NumAromaticRings: | 4 |
Unique Aglycone
AD03148
Formula: C28H26O8N2
Smiles:
Cc1oc(-c2ccc(O)cc2)nc1CCOc1ccc(CN(CC(=O)O)C(=O)Oc2ccc(O)cc2)cc1| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.18 |
| AlogP: | 4.77 | Num_rotatable_bonds: | 10 |
| MolWt: | 518.52 | Num_heavy_atoms: | 38 |
| TPSA: | 142.56 | NumAromaticRings: | 4 |
