Glycoside
GD146381
Name:
NoneFormula:
C21H23O8NSmiles:
O=C(O)C1OC(OCc2ccccc2)C(N=C(O)OCc2ccccc2)C(O)C1OAglycone:
N=C(O)OCc1ccccc1.OCc1ccccc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 417.41 | Num_heavy_atoms: | 30 |
| TPSA: | 138.04 | NumAromaticRings: | 2 |
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 |
AD45578
Formula: C8H9O2N
Smiles:
N=C(O)OCc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 151.16 | Num_heavy_atoms: | 11 |
| TPSA: | 53.31 | NumAromaticRings: | 1 |
