Glycoside
GD146610
Name:
4-({6-[(2,4-dihydroxy-3,5-dimethoxybenzoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-2-(ethylamino)-5-[(N'-methylcarbamimidamido)methoxy]benzoic acidFormula:
C27H36O14N4Smiles:
CCNc1cc(OC2OC(COC(=O)c3cc(OC)c(O)c(OC)c3O)C(O)C(O)C2O)c(OCNC(=N)NC)cc1C(=O)OAglycone:
CCNc1cc(O)c(OCNC(=N)NC)cc1C(=O)O.COC(=O)c1cc(OC)c(O)c(OC)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.44 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 13 |
| MolWt: | 640.6 | Num_heavy_atoms: | 45 |
| TPSA: | 270.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD45957
Formula: C10H12O6
Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 3 |
| MolWt: | 228.2 | Num_heavy_atoms: | 16 |
| TPSA: | 85.22 | NumAromaticRings: | 1 |
AD50635
Formula: C12H18O4N4
Smiles:
CCNc1cc(O)c(OCNC(=N)NC)cc1C(=O)O| HBA: | 8 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 282.3 | Num_heavy_atoms: | 20 |
| TPSA: | 126.7 | NumAromaticRings: | 1 |
