Glycoside
GD148068
Name:
3-{3-[(diaminomethylidene)amino]propyl}-4-[(6-{[2,4-dihydroxy-5-methoxy-3-(2-phenylethoxy)benzoyloxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-5-methoxybenzoic acidFormula:
C34H41O14N3Smiles:
COc1cc(C(=O)OCC2OC(Oc3c(CCCNC(=N)N)cc(C(=O)O)cc3OC)C(O)C(O)C2O)c(O)c(OCCc2ccccc2)c1OAglycone:
COC(=O)c1cc(OC)c(O)c(OCCc2ccccc2)c1O.COc1cc(C(=O)O)cc(CCCNC(=N)N)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.38 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 16 |
| MolWt: | 715.71 | Num_heavy_atoms: | 51 |
| TPSA: | 272.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD47588
Formula: C17H18O6
Smiles:
COC(=O)c1cc(OC)c(O)c(OCCc2ccccc2)c1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 318.32 | Num_heavy_atoms: | 23 |
| TPSA: | 85.22 | NumAromaticRings: | 2 |
AD48473
Formula: C12H17O4N3
Smiles:
COc1cc(C(=O)O)cc(CCCNC(=N)N)c1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 267.28 | Num_heavy_atoms: | 19 |
| TPSA: | 128.66 | NumAromaticRings: | 1 |
