Glycoside
GD150863
Name:
6-{[3-(diaminomethyl)phenyl]methyl}-5-hydroxy-9,10-dioxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C30H30O10N2Smiles:
CC(=O)Oc1ccc2c(c1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3O)c(Cc3cccc(C(N)N)c3)c(O)c1C2=OAglycone:
CC(=O)Oc1ccc2c(c1)C(=O)c1cc(O)c(Cc3cccc(C(N)N)c3)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.3 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 578.57 | Num_heavy_atoms: | 42 |
| TPSA: | 211.86 | NumAromaticRings: | 3 |
Unique Aglycone
AD60220
Formula: C24H20O6N2
Smiles:
CC(=O)Oc1ccc2c(c1)C(=O)c1cc(O)c(Cc3cccc(C(N)N)c3)c(O)c1C2=O| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.12 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.43 | Num_heavy_atoms: | 32 |
| TPSA: | 152.94 | NumAromaticRings: | 3 |
