Glycoside
GD016107
Name:
NoneFormula:
C15H18O7N2Smiles:
CCOC(=O)C=CC=C[C@@H]1OC(n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
C=CC=CC(=O)OCC.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 338.32 | Num_heavy_atoms: | 24 |
| TPSA: | 130.85 | NumAromaticRings: | 1 |
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 |
AD01118
Formula: C7H10O2
Smiles:
C=CC=CC(=O)OCC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 126.15 | Num_heavy_atoms: | 9 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
