Glycoside
GD101537
Name:
NoneFormula:
C22H29O10N3Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cnc(OCC3CC3)nc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.Nc1cnc(OCC2CC2)nc1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 10 |
| MolWt: | 495.49 | Num_heavy_atoms: | 35 |
| TPSA: | 161.47 | 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 |
AD42982
Formula: C8H11ON3
Smiles:
Nc1cnc(OCC2CC2)nc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 165.2 | Num_heavy_atoms: | 12 |
| TPSA: | 61.03 | NumAromaticRings: | 1 |
