Glycoside
GD155972
Name:
1-(15-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-16-methoxy-10-azatetracyclo[7.7.1.0²,â·.0¹³,¹â·]heptadeca-1(16),2,4,6,13(17),14-hexaen-10-yl)ethan-1-oneFormula:
C31H39O13NSmiles:
COc1c(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)cc2c3c1-c1ccccc1CC3N(C(C)=O)CC2Aglycone:
COc1c(O)cc2c3c1-c1ccccc1CC3N(C(C)=O)CC2Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 633.65 | Num_heavy_atoms: | 45 |
| TPSA: | 208.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD61806
Formula: C19H19O3N
Smiles:
COc1c(O)cc2c3c1-c1ccccc1CC3N(C(C)=O)CC2| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.32 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 309.37 | Num_heavy_atoms: | 23 |
| TPSA: | 49.77 | NumAromaticRings: | 2 |
