Glycoside
GD138443
Name:
3,4,5-trihydroxy-6-[(1,2,8-trihydroxy-12-oxo-11,12-dihydro-10H-5-oxatetraphen-3-yl)oxy]oxane-2-carboxylic acidFormula:
C23H20O12Smiles:
O=C(O)C1OC(Oc2cc3oc4c(c(=O)c3c(O)c2O)CCc2cc(O)ccc2-4)C(O)C(O)C1OAglycone:
O=c1c2c(oc3cc(O)c(O)c(O)c13)-c1ccc(O)cc1CC2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.3 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 488.4 | Num_heavy_atoms: | 35 |
| TPSA: | 207.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD52925
Formula: C17H12O6
Smiles:
O=c1c2c(oc3cc(O)c(O)c(O)c13)-c1ccc(O)cc1CC2| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 0 |
| MolWt: | 312.28 | Num_heavy_atoms: | 23 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
