Glycoside
GD148351
Name:
4-{[(diaminomethylidene)amino]methyl}-6-{[5,6-dihydroxy-2-(4-hydroxy-2-{3-[(methylamino)methyl]-3,4-dihydronaphthalen-2-yl}phenyl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C35H36O12N4Smiles:
CNCC1Cc2ccccc2C=C1c1cc(O)ccc1-c1cc(=O)c2c(O)c(O)c(OC3OC(C(=O)O)C(O)C(O)(CNC(=N)N)C3O)cc2o1Aglycone:
CNC(=N)N.CNCC1Cc2ccccc2C=C1c1cc(O)ccc1-c1cc(=O)c2c(O)c(O)c(O)cc2o1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.29 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 9 |
| MolWt: | 704.69 | Num_heavy_atoms: | 51 |
| 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 |
AD59366
Formula: C27H23O6N
Smiles:
CNCC1Cc2ccccc2C=C1c1cc(O)ccc1-c1cc(=O)c2c(O)c(O)c(O)cc2o1| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.15 |
| AlogP: | 4.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 457.48 | Num_heavy_atoms: | 34 |
| TPSA: | 123.16 | NumAromaticRings: | 4 |
