Glycoside
GD007237
Name:
NoneFormula:
C24H24O9N3ClSmiles:
COc1nc(N(C)C)ccc1-c1cc2c(C(=O)O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)c[nH]c2cc1ClAglycone:
COc1nc(N(C)C)ccc1-c1cc2c(C(=O)O)c[nH]c2cc1ClSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 521.91 | Num_heavy_atoms: | 36 |
| TPSA: | 174.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD05907
Formula: C18H16O3N3Cl
Smiles:
COc1nc(N(C)C)ccc1-c1cc2c(C(=O)O)c[nH]c2cc1Cl| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 345.79 | Num_heavy_atoms: | 24 |
| TPSA: | 78.45 | NumAromaticRings: | 3 |
