Glycoside
GD032768
Name:
NoneFormula:
C20H27O11N5Smiles:
O=c1ccn(C2OC(CN(O)CCC3C(O)C(CO)OC3n3ccc(=O)[nH]c3=O)C(O)C2O)c(=O)[nH]1Aglycone:
CN(O)CCC1C(O)C(CO)OC1n1ccc(=O)[nH]c1=O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | -4.35 | Num_rotatable_bonds: | 8 |
| MolWt: | 513.46 | Num_heavy_atoms: | 36 |
| TPSA: | 232.57 | NumAromaticRings: | 2 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD20970
Formula: C12H19O6N3
Smiles:
CN(O)CCC1C(O)C(CO)OC1n1ccc(=O)[nH]c1=O| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 301.3 | Num_heavy_atoms: | 21 |
| TPSA: | 128.02 | NumAromaticRings: | 1 |
