Glycoside
GD133587
Name:
4-{[(diaminomethylidene)amino]methyl}-6-{[5,6-dihydroxy-2-(4-hydroxyphenyl)-3-[2-(methylamino)-1-phenylethyl]-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C32H34O12N4Smiles:
CNCC(c1ccccc1)c1c(-c2ccc(O)cc2)oc2cc(OC3OC(C(=O)O)C(O)C(O)(CNC(=N)N)C3O)c(O)c(O)c2c1=OAglycone:
CNC(=N)N.CNCC(c1ccccc1)c1c(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c2c1=OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.28 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 10 |
| MolWt: | 666.64 | Num_heavy_atoms: | 48 |
| TPSA: | 281.28 | 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 |
AD54062
Formula: C24H21O6N
Smiles:
CNCC(c1ccccc1)c1c(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c2c1=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.12 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 419.43 | Num_heavy_atoms: | 31 |
| TPSA: | 123.16 | NumAromaticRings: | 4 |
