Glycoside
GD115840
Name:
PterogynosideFormula:
C29H26O14Smiles:
COc1c(O)cc(C(=O)OC2C(O)C(C)OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C2O)cc1OAglycone:
COc1c(O)cc(C(=O)O)cc1O.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.24 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 598.51 | Num_heavy_atoms: | 43 |
| TPSA: | 225.81 | NumAromaticRings: | 4 |
Unique Aglycone
AD00022
Formula: C15H10O6
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)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 |
AD45901
Formula: C8H8O5
Smiles:
COc1c(O)cc(C(=O)O)cc1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
