Glycoside
GD141586
Name:
methyl 10-[2-(3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)ethyl]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,12-dioxa-10-azatricyclo[7.2.1.0²,â·]dodec-5-ene-6-carboxylateFormula:
C27H34O12N2Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C3CN(CCC4(O)C(O)=Nc5ccccc54)C(CC12)O3Aglycone:
COC(=O)C1=COC(O)C2C3CN(CCC4(O)C(O)=Nc5ccccc54)C(CC12)O3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.63 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 578.57 | Num_heavy_atoms: | 41 |
| TPSA: | 200.2 | NumAromaticRings: | 1 |
Unique Aglycone
AD57026
Formula: C21H24O7N2
Smiles:
COC(=O)C1=COC(O)C2C3CN(CCC4(O)C(O)=Nc5ccccc54)C(CC12)O3| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.52 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 416.43 | Num_heavy_atoms: | 30 |
| TPSA: | 121.05 | NumAromaticRings: | 1 |
