Glycoside
GD095797
Name:
NoneFormula:
C20H24O10N2Smiles:
CC(=O)N[C@@H]1[C@H](OC(=O)c2cccnc2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.O=C(O)c1cccnc1Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 452.42 | Num_heavy_atoms: | 32 |
| TPSA: | 156.42 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD07870
Formula: C6H5O2N
Smiles:
O=C(O)c1cccnc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 123.11 | Num_heavy_atoms: | 9 |
| TPSA: | 50.19 | NumAromaticRings: | 1 |
