Glycoside
GD134536
Name:
N''-{[4-hydroxy-6-(hydroxymethyl)-9,10-dioxo-1-(2-phenylethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-2-yl]methyl}guanidineFormula:
C31H33O10N3Smiles:
N=C(N)NCc1c(CCc2ccccc2)c2c(c(O)c1OC1OC(CO)C(O)C(O)C1O)C(=O)c1cc(CO)ccc1C2=OAglycone:
N=C(N)NCc1c(O)c(O)c2c(c1CCc1ccccc1)C(=O)c1ccc(CO)cc1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.32 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 9 |
| MolWt: | 607.62 | Num_heavy_atoms: | 44 |
| TPSA: | 235.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD54424
Formula: C25H23O5N3
Smiles:
N=C(N)NCc1c(O)c(O)c2c(c1CCc1ccccc1)C(=O)c1ccc(CO)cc1C2=O| HBA: | 8 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.16 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 445.48 | Num_heavy_atoms: | 33 |
| TPSA: | 156.73 | NumAromaticRings: | 3 |
