Glycoside
GD090627
Name:
NoneFormula:
C20H28O9N2Smiles:
COc1cc2cc(C(=O)NCCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[nH]c2c(OC)c1OCAglycone:
COc1cc2cc(C(=O)NCCO)[nH]c2c(OC)c1OCSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 8 |
| MolWt: | 440.45 | Num_heavy_atoms: | 31 |
| TPSA: | 151.73 | NumAromaticRings: | 2 |
Unique Aglycone
AD39430
Formula: C14H18O5N2
Smiles:
COc1cc2cc(C(=O)NCCO)[nH]c2c(OC)c1OC| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 294.31 | Num_heavy_atoms: | 21 |
| TPSA: | 92.81 | NumAromaticRings: | 2 |
