Glycoside
GD148710
Name:
N''-{[4-hydroxy-6-(hydroxymethyl)-9,10-dioxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-2-yl]methyl}guanidineFormula:
C23H25O10N3Smiles:
N=C(N)NCc1cc2c(c(O)c1OC1OC(CO)C(O)C(O)C1O)C(=O)c1cc(CO)ccc1C2=OAglycone:
N=C(N)NCc1cc2c(c(O)c1O)C(=O)c1cc(CO)ccc1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.35 |
| AlogP: | -2.18 | Num_rotatable_bonds: | 6 |
| MolWt: | 503.46 | Num_heavy_atoms: | 36 |
| TPSA: | 235.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD59495
Formula: C17H15O5N3
Smiles:
N=C(N)NCc1cc2c(c(O)c1O)C(=O)c1cc(CO)ccc1C2=O| HBA: | 8 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.12 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 341.32 | Num_heavy_atoms: | 25 |
| TPSA: | 156.73 | NumAromaticRings: | 2 |
