Glycoside
GD157041
Name:
7-({3-[2-(2-aminopiperidin-1-ium-4-yl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-6-{[2-(2-azanidyl-6-oxo-6H-9λâµ-purin-9-ylium-9-yl)cyclohexyl]methyl}-8-(2-hydroxyethoxy)-9,10-dioxo-tetradecahydroanthracen-1-ylFormula:
C41H37O11N7Smiles:
N=C1N=C2C(=[N+]C=[N+]2c2ccccc2Cc2cc3c(c(OCCO)c2OC2OC(CO)C(O)C(O)C2OCCc2ccnc(N)c2)C(=O)c2ccccc2C3=O)C(=O)[N-]1Aglycone:
N=C1N=C2C(=[NH+]C=[N+]2c2ccccc2Cc2cc3c(c(OCCO)c2O)C(=O)c2ccccc2C3=O)C(=O)[N-]1.Nc1cc(CCO)ccn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.27 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 13 |
| MolWt: | 803.78 | Num_heavy_atoms: | 59 |
| TPSA: | 275.38 | NumAromaticRings: | 4 |
Unique Aglycone
AD53637
Formula: C7H10ON2
Smiles:
Nc1cc(CCO)ccn1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 59.14 | NumAromaticRings: | 1 |
AD62126
Formula: C28H20O6N5
Smiles:
N=C1N=C2C(=[NH+]C=[N+]2c2ccccc2Cc2cc3c(c(OCCO)c2O)C(=O)c2ccccc2C3=O)C(=O)[N-]1| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.11 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 522.5 | Num_heavy_atoms: | 39 |
| TPSA: | 168.19 | NumAromaticRings: | 3 |
