Glycoside
GD005902
Name:
NoneFormula:
C33H37O10N5Smiles:
CC(=O)NC1C(OCC(=O)NCCNc2ccc([N+](=O)[O-])c3[nH]c4ccccc4c(=O)c23)C(O)C(CO)OC1(C)OCc1ccccc1Aglycone:
O=C(CO)NCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12.OCc1ccccc1Sugarmoiety:
CC(=O)NC1C(O)C(O)C(CO)OC1(C)OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 13 |
| MolWt: | 663.68 | Num_heavy_atoms: | 48 |
| TPSA: | 214.38 | NumAromaticRings: | 4 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD04946
Formula: C17H16O5N4
Smiles:
O=C(CO)NCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.18 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 356.34 | Num_heavy_atoms: | 26 |
| TPSA: | 137.36 | NumAromaticRings: | 3 |
