Glycoside
GD082170
Name:
NoneFormula:
C18H19O10NSmiles:
O=C(Cc1cc(=O)oc2cc3c(cc12)OCO3)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
NC(=O)Cc1cc(=O)oc2cc3c(cc12)OCO3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 409.35 | Num_heavy_atoms: | 29 |
| TPSA: | 167.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD36898
Formula: C12H9O5N
Smiles:
NC(=O)Cc1cc(=O)oc2cc3c(cc12)OCO3| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 247.21 | Num_heavy_atoms: | 18 |
| TPSA: | 91.76 | NumAromaticRings: | 2 |
