Glycoside
GD151158
Name:
Trigonotin CFormula:
C33H38O18Smiles:
COc1cc(C2c3c(cc(OC)c(O)c3OC)C=C3C(=O)OCC4OC(CO)(OC5OC(CO)C(O)C(O)C5O)C(OC(=O)C32)C4O)ccc1OAglycone:
COc1cc(C2c3c(cc(OC)c(O)c3OC)C=C3C(=O)OCC4OC(O)(CO)C(OC(=O)C32)C4O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | -2.0 | Num_rotatable_bonds: | 8 |
| MolWt: | 722.65 | Num_heavy_atoms: | 51 |
| TPSA: | 269.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD56555
Formula: C27H28O13
Smiles:
COc1cc(C2c3c(cc(OC)c(O)c3OC)C=C3C(=O)OCC4OC(O)(CO)C(OC(=O)C32)C4O)ccc1O| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 560.51 | Num_heavy_atoms: | 40 |
| TPSA: | 190.67 | NumAromaticRings: | 2 |
