Glycoside
GD151196
Name:
N''-{[3-({3-[2-(2-aminopyridin-4-yl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl]methyl}guanidineFormula:
C29H31O9N5Smiles:
N=C(N)NCc1cc2c(c(O)c1OC1OC(CO)C(O)C(O)C1OCCc1cc[nH]c(=N)c1)C(=O)c1ccccc1C2=OAglycone:
N=C(N)NCc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O.N=c1cc(CCO)cc[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.31 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 9 |
| MolWt: | 593.59 | Num_heavy_atoms: | 43 |
| TPSA: | 244.29 | NumAromaticRings: | 3 |
Unique Aglycone
AD52106
Formula: C7H10ON2
Smiles:
N=c1cc(CCO)cc[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 59.87 | NumAromaticRings: | 1 |
AD52856
Formula: C16H13O4N3
Smiles:
N=C(N)NCc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.06 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 2 |
| MolWt: | 311.3 | Num_heavy_atoms: | 23 |
| TPSA: | 136.5 | NumAromaticRings: | 2 |
