Glycoside
GD137619
Name:
Veronicoside AFormula:
C35H42O22Smiles:
CC(=O)OCC1OC(OC2C(O)C(CO)OC(OC3C(Oc4cc(O)c5c(=O)cc(-c6ccc(O)c(O)c6)oc5c4)OC(CO)C(O)C3O)C2O)C(O)C(O)C1OAglycone:
COC(C)=O.O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(OC2OC(CO)C(O)C(OC3OC(O)C(O)C(O)C3O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.54 |
| AlogP: | -4.03 | Num_rotatable_bonds: | 11 |
| MolWt: | 814.7 | Num_heavy_atoms: | 57 |
| TPSA: | 354.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD00567
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
