Glycoside
GD017169
Name:
NoneFormula:
C28H24O8N2Smiles:
CO[C@@H]1[C@H](CO)O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6n(C)c5c32)C(=O)OC4=O)[C@H](O)[C@H]1OAglycone:
Cn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)OC3=OSugarmoiety:
CO.COC1C(CO)OOC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 516.51 | Num_heavy_atoms: | 38 |
| TPSA: | 132.38 | NumAromaticRings: | 5 |
Unique Aglycone
AD11194
Formula: C21H12O3N2
Smiles:
Cn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)OC3=O| HBA: | 5 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.05 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 340.34 | Num_heavy_atoms: | 26 |
| TPSA: | 64.09 | NumAromaticRings: | 5 |
