Glycoside
GD147692
Name:
NoneFormula:
C28H28O13N2Smiles:
Nc1ccc(CCOc2ccc(-c3cc(=O)c4c(O)c(OCO)c(OC5OC(C(=O)O)C(O)C(O)C5O)cc4o3)cc2)[nH]1Aglycone:
Nc1ccc(CCOc2ccc(-c3cc(=O)c4c(O)c(OCO)c(O)cc4o3)cc2)[nH]1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.29 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 10 |
| MolWt: | 600.53 | Num_heavy_atoms: | 43 |
| TPSA: | 247.39 | NumAromaticRings: | 4 |
Unique Aglycone
AD59139
Formula: C22H20O7N2
Smiles:
Nc1ccc(CCOc2ccc(-c3cc(=O)c4c(O)c(OCO)c(O)cc4o3)cc2)[nH]1| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.14 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 7 |
| MolWt: | 424.41 | Num_heavy_atoms: | 31 |
| TPSA: | 151.17 | NumAromaticRings: | 4 |
