Glycoside
GD129142
Name:
2-(4,5-dihydroxycyclohexa-1,3-dien-1-yl)-5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C21H22O12Smiles:
O=c1c(OC2OC(CO)C(O)C(O)C2O)c(C2=CC=C(O)C(O)C2)oc2cc(O)cc(O)c12Aglycone:
O=c1c(O)c(C2=CC=C(O)C(O)C2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.38 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 466.4 | Num_heavy_atoms: | 33 |
| TPSA: | 210.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD52311
Formula: C15H12O7
Smiles:
O=c1c(O)c(C2=CC=C(O)C(O)C2)oc2cc(O)cc(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.13 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 2 |
