Glycoside
GD128512
Name:
N'-[(1-hydroxy-6-methoxy-3-methyl-9,10-dioxo-8-{[3,4,5,6-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-2-yl)methyl]-N-methylguanidineFormula:
C25H29O11N3Smiles:
CNC(=N)NCc1c(C)cc2c(c1O)C(=O)c1c(OC3OC(O)(CO)C(O)C(O)C3O)cc(OC)cc1C2=OAglycone:
CNC(=N)NCc1c(C)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=OSugarmoiety:
OCC1(O)OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.4 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 547.52 | Num_heavy_atoms: | 39 |
| TPSA: | 231.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD48692
Formula: C19H19O5N3
Smiles:
CNC(=N)NCc1c(C)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.21 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 369.38 | Num_heavy_atoms: | 27 |
| TPSA: | 131.74 | NumAromaticRings: | 2 |
