Glycoside
GD117752
Name:
6-{[3-benzyl-5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-4-{[(diaminomethylidene)azaniumyl]methyl}-3,4,5-trihydroxyoxane-2-carboxylateFormula:
C30H29O12N3Smiles:
N=C(N)NCC1(O)C(O)C(Oc2cc3oc(-c4ccc(O)cc4)c(Cc4ccccc4)c(=O)c3c(O)c2O)OC(C(=O)O)C1OAglycone:
CNC(=N)N.O=c1c(Cc2ccccc2)c(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.23 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 8 |
| MolWt: | 623.57 | Num_heavy_atoms: | 45 |
| TPSA: | 269.25 | NumAromaticRings: | 4 |
Unique Aglycone
AD01954
Formula: C2H7N3
Smiles:
CNC(=N)N| HBA: | 3 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 0 |
| MolWt: | 73.1 | Num_heavy_atoms: | 5 |
| TPSA: | 61.9 | NumAromaticRings: | 0 |
AD46626
Formula: C22H16O6
Smiles:
O=c1c(Cc2ccccc2)c(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.05 |
| AlogP: | 3.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 376.36 | Num_heavy_atoms: | 28 |
| TPSA: | 111.13 | NumAromaticRings: | 4 |
