Glycoside
GD000525
Name:
NoneFormula:
C22H27O11N3Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C=NNC(N)=O)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.NC(=O)NN=Cc1ccc(O)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 509.47 | Num_heavy_atoms: | 36 |
| TPSA: | 191.14 | 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 |
AD00580
Formula: C8H9O2N3
Smiles:
NC(=O)NN=Cc1ccc(O)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 179.18 | Num_heavy_atoms: | 13 |
| TPSA: | 87.71 | NumAromaticRings: | 1 |
