Glycoside
GD141521
Name:
8-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-5-[4-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)phenyl]-7-oxa-5-azatricyclo[6.4.0.0²,â¶]dodec-9-en-11-oneFormula:
C32H45O14NSmiles:
O=C1C=CC2(CCOC3OC(CO)C(O)C(O)C3O)OC3C(CCN3c3ccc(CCOC4OC(CO)C(O)C(O)C4O)cc3)C2C1Aglycone:
O=C1C=CC2(CCO)OC3C(CCN3c3ccc(CCO)cc3)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.72 |
| AlogP: | -2.68 | Num_rotatable_bonds: | 11 |
| MolWt: | 667.71 | Num_heavy_atoms: | 47 |
| TPSA: | 228.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD57003
Formula: C20H25O4N
Smiles:
O=C1C=CC2(CCO)OC3C(CCN3c3ccc(CCO)cc3)C2C1| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 343.42 | Num_heavy_atoms: | 25 |
| TPSA: | 70.0 | NumAromaticRings: | 1 |
