Glycoside
GD090321
Name:
NoneFormula:
C21H26O8N2Smiles:
CCOC(=O)c1c(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c(C)cn1Cc1ccccc1Aglycone:
CCOC(=O)c1c(N)c(C)cn1Cc1ccccc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 10 |
| MolWt: | 434.45 | Num_heavy_atoms: | 31 |
| TPSA: | 158.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD39315
Formula: C15H18O2N2
Smiles:
CCOC(=O)c1c(N)c(C)cn1Cc1ccccc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 258.32 | Num_heavy_atoms: | 19 |
| TPSA: | 57.25 | NumAromaticRings: | 2 |
