Glycoside
GD012076
Name:
NoneFormula:
C28H29O9N3Smiles:
CO[C@@H]1[C@H](OC(N)=O)[C@H](O)[C@H](Oc2ccc3cc(NC(=O)c4cc5ccccc5[nH]4)c(=O)oc3c2C)OC1(C)CAglycone:
Cc1c(O)ccc2cc(NC(=O)c3cc4ccccc4[nH]3)c(=O)oc12Sugarmoiety:
COC1C(OC(N)=O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 6 |
| MolWt: | 551.55 | Num_heavy_atoms: | 40 |
| TPSA: | 175.34 | NumAromaticRings: | 4 |
Unique Aglycone
AD09128
Formula: C19H14O4N2
Smiles:
Cc1c(O)ccc2cc(NC(=O)c3cc4ccccc4[nH]3)c(=O)oc12| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.05 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 334.33 | Num_heavy_atoms: | 25 |
| TPSA: | 95.33 | NumAromaticRings: | 4 |
