Glycoside
GD010912
Name:
NoneFormula:
C28H31O7N3Smiles:
CO[C@@H]1[C@H](O)[C@H](O)[C@H](Oc2ccc3c(c2C)OC(=O)C(n2cc(C=Cc4ccccc4)nn2)C3)OC1(C)CAglycone:
Cc1c(O)ccc2c1OC(=O)C(n1cc(C=Cc3ccccc3)nn1)C2Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.39 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 521.57 | Num_heavy_atoms: | 38 |
| TPSA: | 125.16 | NumAromaticRings: | 3 |
Unique Aglycone
AD08371
Formula: C20H17O3N3
Smiles:
Cc1c(O)ccc2c1OC(=O)C(n1cc(C=Cc3ccccc3)nn1)C2| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 347.37 | Num_heavy_atoms: | 26 |
| TPSA: | 77.24 | NumAromaticRings: | 3 |
