Glycoside
GD002425
Name:
NoneFormula:
C23H25O5N2Smiles:
COc1ccc2[nH]c3c(C)c4cc[n+](C5O[C@H](CO)[C@H](O)[C@H]5O)cc4c(C)c3c2c1Aglycone:
COc1ccc2[nH]c3c(C)c4cc[nH+]cc4c(C)c3c2c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 409.46 | Num_heavy_atoms: | 30 |
| TPSA: | 98.82 | NumAromaticRings: | 4 |
Unique Aglycone
AD02325
Formula: C18H17ON2
Smiles:
COc1ccc2[nH]c3c(C)c4cc[nH+]cc4c(C)c3c2c1| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 277.35 | Num_heavy_atoms: | 21 |
| TPSA: | 39.16 | NumAromaticRings: | 4 |
