Glycoside
GD124355
Name:
NoneFormula:
C28H28O13N2Smiles:
COc1c(OC2OC(C(=O)O)C(O)C(O)C2O)cc2oc(-c3ccc(OCC(O)c4ccc(N)[nH]4)cc3)cc(=O)c2c1OAglycone:
COc1c(O)cc2oc(-c3ccc(OCC(O)c4ccc(N)[nH]4)cc3)cc(=O)c2c1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.29 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 600.53 | Num_heavy_atoms: | 43 |
| TPSA: | 247.39 | NumAromaticRings: | 4 |
Unique Aglycone
AD50229
Formula: C22H20O7N2
Smiles:
COc1c(O)cc2oc(-c3ccc(OCC(O)c4ccc(N)[nH]4)cc3)cc(=O)c2c1O| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.14 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 424.41 | Num_heavy_atoms: | 31 |
| TPSA: | 151.17 | NumAromaticRings: | 4 |
