Glycoside
GD151179
Name:
NoneFormula:
C32H34O12N2Smiles:
Nc1ccc(CCOc2ccc(-c3cc(=O)c4c(O)c(OC5CCCC5)c(OC5OC(C(=O)O)C(O)C(O)C5O)cc4o3)cc2)[nH]1Aglycone:
Nc1ccc(CCOc2ccc(-c3cc(=O)c4c(O)c(OC5CCCC5)c(O)cc4o3)cc2)[nH]1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.38 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 10 |
| MolWt: | 638.63 | Num_heavy_atoms: | 46 |
| TPSA: | 227.16 | NumAromaticRings: | 4 |
Unique Aglycone
AD47382
Formula: C26H26O6N2
Smiles:
Nc1ccc(CCOc2ccc(-c3cc(=O)c4c(O)c(OC5CCCC5)c(O)cc4o3)cc2)[nH]1| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | 4.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 462.5 | Num_heavy_atoms: | 34 |
| TPSA: | 130.94 | NumAromaticRings: | 4 |
