Glycoside
GD146136
Name:
1-hydroxy-6-methoxy-3-methyl-2-[(methylamino)methyl]-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C24H27O10NSmiles:
CNCc1c(C)cc2c(c1O)C(=O)c1c(OC3OC(CO)C(O)C(O)C3O)cc(OC)cc1C2=OAglycone:
CNCc1c(C)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 489.48 | Num_heavy_atoms: | 35 |
| TPSA: | 175.01 | NumAromaticRings: | 2 |
Unique Aglycone
AD46339
Formula: C18H17O5N
Smiles:
CNCc1c(C)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 327.34 | Num_heavy_atoms: | 24 |
| TPSA: | 95.86 | NumAromaticRings: | 2 |
