Glycoside
GD124128
Name:
Triangularine BFormula:
C29H31O15NSmiles:
COc1c2c3c(cc4c(c3c3cccc(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)c13)OCO4)C(O)=N2Aglycone:
COc1c2c3c(cc4c(c3c3cccc(O)c13)OCO4)C(O)=N2Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 633.56 | Num_heavy_atoms: | 45 |
| TPSA: | 238.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD50122
Formula: C17H11O5N
Smiles:
COc1c2c3c(cc4c(c3c3cccc(O)c13)OCO4)C(O)=N2| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 309.28 | Num_heavy_atoms: | 23 |
| TPSA: | 80.51 | NumAromaticRings: | 3 |
