Glycoside
GD144250
Name:
Houttuynoid DFormula:
C32H40O13Smiles:
CCCCCCCCCC(=O)Cc1c(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)ccc(O)c1OAglycone:
CCCCCCCCCC(=O)Cc1c(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 14 |
| MolWt: | 632.66 | Num_heavy_atoms: | 45 |
| TPSA: | 227.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD57987
Formula: C26H30O8
Smiles:
CCCCCCCCCC(=O)Cc1c(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc(O)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 5.24 | Num_rotatable_bonds: | 11 |
| MolWt: | 470.52 | Num_heavy_atoms: | 34 |
| TPSA: | 148.43 | NumAromaticRings: | 3 |
