Glycoside
GD097613
Name:
NoneFormula:
C19H24O10N4Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cc(C(N)=O)ncn2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.NC(=O)c1cc(N)ncn1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 8 |
| MolWt: | 468.42 | Num_heavy_atoms: | 33 |
| TPSA: | 195.33 | 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 |
AD41548
Formula: C5H6ON4
Smiles:
NC(=O)c1cc(N)ncn1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.13 | Num_heavy_atoms: | 10 |
| TPSA: | 94.89 | NumAromaticRings: | 1 |
