Glycoside
GD012182
Name:
NoneFormula:
C28H34O7N4Smiles:
CO[C@@H]1[C@H](O)[C@H](O)[C@H](Oc2ccc3c(c2C)OC(=O)C(n2cc(-c4ccc(N(C)C)cc4)nn2)C3)OC1(C)CAglycone:
Cc1c(O)ccc2c1OC(=O)C(n1cc(-c3ccc(N(C)C)cc3)nn1)C2Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.46 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 538.6 | Num_heavy_atoms: | 39 |
| TPSA: | 128.4 | NumAromaticRings: | 3 |
Unique Aglycone
AD09201
Formula: C20H20O3N4
Smiles:
Cc1c(O)ccc2c1OC(=O)C(n1cc(-c3ccc(N(C)C)cc3)nn1)C2| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 364.41 | Num_heavy_atoms: | 27 |
| TPSA: | 80.48 | NumAromaticRings: | 3 |
