Glycoside
GD031287
Name:
NoneFormula:
C27H34O14N4Smiles:
COc1cc(CNC(=O)C2=C[C@H](O)[C@H](O)[C@H](O[C@H](C(N)=O)[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@H]3OC)O2)cc(OC)c1OCAglycone:
COc1cc(CNC(=O)C2=CC(O)C(O)C(OCC(N)=O)O2)cc(OC)c1OC.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -3.02 | Num_rotatable_bonds: | 12 |
| MolWt: | 638.58 | Num_heavy_atoms: | 45 |
| TPSA: | 252.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD20171
Formula: C18H24O9N2
Smiles:
COc1cc(CNC(=O)C2=CC(O)C(O)C(OCC(N)=O)O2)cc(OC)c1OC| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 9 |
| MolWt: | 412.4 | Num_heavy_atoms: | 29 |
| TPSA: | 158.8 | NumAromaticRings: | 1 |
