Glycoside
GD131169
Name:
TerflavinFormula:
C27H20O18Smiles:
O=C(OC1C(CO)OC(O)C(O)C1O)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c2oc(=O)c3cc(O)c(O)c4oc(=O)c1c2c43Aglycone:
O=C(O)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c2oc(=O)c3cc(O)c(O)c4oc(=O)c1c2c43Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.22 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 4 |
| MolWt: | 632.44 | Num_heavy_atoms: | 45 |
| TPSA: | 318.48 | NumAromaticRings: | 5 |
Unique Aglycone
AD10096
Formula: C21H10O13
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c2oc(=O)c3cc(O)c(O)c4oc(=O)c1c2c43| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.0 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 2 |
| MolWt: | 470.3 | Num_heavy_atoms: | 34 |
| TPSA: | 239.33 | NumAromaticRings: | 5 |
