Glycoside
GD157796
Name:
NoneFormula:
C33H34O19N2Smiles:
NC1C=CC(Cc2c(OC3OC(C(=O)OC4OC(C(=O)O)C(O)(O)C(O)C4O)C(O)C(O)C3O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)=CN1Aglycone:
NC1C=CC(Cc2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)=CN1Sugarmoiety:
O=C(OC1OC(C(=O)O)C(O)(O)C(O)C1O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.36 |
| AlogP: | -3.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 762.63 | Num_heavy_atoms: | 54 |
| TPSA: | 361.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD51048
Formula: C21H18O6N2
Smiles:
NC1C=CC(Cc2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)=CN1| HBA: | 8 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.1 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 394.38 | Num_heavy_atoms: | 29 |
| TPSA: | 149.18 | NumAromaticRings: | 3 |
