Glycoside
GD118680
Name:
N''-{[4-hydroxy-1-(3-hydroxypropyl)-9,10-dioxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-2-yl]methyl}guanidineFormula:
C25H29O10N3Smiles:
N=C(N)NCc1c(CCCO)c2c(c(O)c1OC1OC(CO)C(O)C(O)C1O)C(=O)c1ccccc1C2=OAglycone:
N=C(N)NCc1c(O)c(O)c2c(c1CCCO)C(=O)c1ccccc1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.4 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 8 |
| MolWt: | 531.52 | Num_heavy_atoms: | 38 |
| TPSA: | 235.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD47479
Formula: C19H19O5N3
Smiles:
N=C(N)NCc1c(O)c(O)c2c(c1CCCO)C(=O)c1ccccc1C2=O| HBA: | 8 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.21 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 369.38 | Num_heavy_atoms: | 27 |
| TPSA: | 156.73 | NumAromaticRings: | 2 |
