Glycoside
GD155482
Name:
N''-{[4-(2-hydroxyethoxy)-9,10-dioxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-2-yl]methyl}guanidineFormula:
C24H27O10N3Smiles:
N=C(N)NCc1cc2c(c(OCCO)c1OC1OC(CO)C(O)C(O)C1O)C(=O)c1ccccc1C2=OAglycone:
N=C(N)NCc1cc2c(c(OCCO)c1O)C(=O)c1ccccc1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.38 |
| AlogP: | -2.01 | Num_rotatable_bonds: | 8 |
| MolWt: | 517.49 | Num_heavy_atoms: | 37 |
| TPSA: | 224.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD61679
Formula: C18H17O5N3
Smiles:
N=C(N)NCc1cc2c(c(OCCO)c1O)C(=O)c1ccccc1C2=O| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.17 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 355.35 | Num_heavy_atoms: | 26 |
| TPSA: | 145.73 | NumAromaticRings: | 2 |
