Glycoside
GD031819
Name:
NoneFormula:
C17H18O5N2Smiles:
C[C@@H]1O[C@H](n2cc(C=Cc3ccccc3)c(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
O=c1[nH]cc(C=Cc2ccccc2)c(=O)[nH]1Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.34 | Num_heavy_atoms: | 24 |
| TPSA: | 104.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD08455
Formula: C12H10O2N2
Smiles:
O=c1[nH]cc(C=Cc2ccccc2)c(=O)[nH]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 214.22 | Num_heavy_atoms: | 16 |
| TPSA: | 65.72 | NumAromaticRings: | 2 |
