Glycoside
GD022119
Name:
NoneFormula:
C21H29O4N3Smiles:
CCO[C@H](C1=CC2C(C)=NN(c3ccccc3)C2N=C1)[C@H](OC)[C@H](O)COCAglycone:
CC1=NN(c2ccccc2)C2N=CC=CC12Sugarmoiety:
CCOC(O)C(OC)C(O)COCOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.52 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 9 |
| MolWt: | 387.48 | Num_heavy_atoms: | 28 |
| TPSA: | 75.88 | NumAromaticRings: | 1 |
Unique Aglycone
AD02115
Formula: C13H13N3
Smiles:
CC1=NN(c2ccccc2)C2N=CC=CC12| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.23 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 211.27 | Num_heavy_atoms: | 16 |
| TPSA: | 27.96 | NumAromaticRings: | 1 |
