Glycoside
GD128637
Name:
2-({3-[2-(2-aminopyridin-4-yl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3-benzyl-1-hydroxy-9,10-dihydroanthracene-9,10-dioneFormula:
C34H32O9N2Smiles:
N=c1cc(CCOC2C(Oc3c(Cc4ccccc4)cc4c(c3O)C(=O)c3ccccc3C4=O)OC(CO)C(O)C2O)cc[nH]1Aglycone:
N=c1cc(CCO)cc[nH]1.O=C1c2ccccc2C(=O)c2c1cc(Cc1ccccc1)c(O)c2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.26 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 9 |
| MolWt: | 612.64 | Num_heavy_atoms: | 45 |
| TPSA: | 182.39 | NumAromaticRings: | 4 |
Unique Aglycone
AD51143
Formula: C21H14O4
Smiles:
O=C1c2ccccc2C(=O)c2c1cc(Cc1ccccc1)c(O)c2O| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.05 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 330.34 | Num_heavy_atoms: | 25 |
| TPSA: | 74.6 | NumAromaticRings: | 3 |
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 |
