Glycoside
GD101496
Name:
NoneFormula:
C21H25O10N3Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2c[nH]c3cc(=O)[nH]c-3c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.Nc1c[nH]c2cc(=O)[nH]c-2c1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 479.44 | Num_heavy_atoms: | 34 |
| TPSA: | 175.11 | NumAromaticRings: | 0 |
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 |
AD42962
Formula: C7H7ON3
Smiles:
Nc1c[nH]c2cc(=O)[nH]c-2c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.15 | Num_heavy_atoms: | 11 |
| TPSA: | 74.67 | NumAromaticRings: | 0 |
