Glycoside
GD155366
Name:
N''-{[3-({3-[2-(2-aminopyridin-4-yl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-4-hydroxy-9,10-dioxo-1-(2-phenylethyl)-9,10-dihydroanthracen-2-yl]methyl}guanidineFormula:
C37H39O9N5Smiles:
N=C(N)NCc1c(CCc2ccccc2)c2c(c(O)c1OC1OC(CO)C(O)C(O)C1OCCc1cc[nH]c(=N)c1)C(=O)c1ccccc1C2=OAglycone:
N=C(N)NCc1c(O)c(O)c2c(c1CCc1ccccc1)C(=O)c1ccccc1C2=O.N=c1cc(CCO)cc[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.3 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 12 |
| MolWt: | 697.75 | Num_heavy_atoms: | 51 |
| TPSA: | 244.29 | NumAromaticRings: | 4 |
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 |
AD57514
Formula: C24H21O4N3
Smiles:
N=C(N)NCc1c(O)c(O)c2c(c1CCc1ccccc1)C(=O)c1ccccc1C2=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.12 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 415.45 | Num_heavy_atoms: | 31 |
| TPSA: | 136.5 | NumAromaticRings: | 3 |
