Glycoside
GD034216
Name:
NoneFormula:
C21H31O6N3Smiles:
C[C@H](O)[C@H](C)COC[C@@H]1OC[C@H](OCCn2cc(-c3ccccc3)nn2)[C@H](O)[C@H]1OAglycone:
COCC(C)C(C)O.OCCn1cc(-c2ccccc2)nn1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 10 |
| MolWt: | 421.49 | Num_heavy_atoms: | 30 |
| TPSA: | 119.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD17047
Formula: C10H11ON3
Smiles:
OCCn1cc(-c2ccccc2)nn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 189.22 | Num_heavy_atoms: | 14 |
| TPSA: | 50.94 | NumAromaticRings: | 2 |
AD21775
Formula: C6H14O2
Smiles:
COCC(C)C(C)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 118.18 | Num_heavy_atoms: | 8 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
