Glycoside
GD137274
Name:
2-{[4-(3,4-dihydroxybenzoyl)-1,6,7-trihydroxy-1,2-dihydronaphthalen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C23H24O12Smiles:
O=C(C1=CC(OC2OC(CO)C(O)C(O)C2O)C(O)c2cc(O)c(O)cc21)c1ccc(O)c(O)c1Aglycone:
O=C(C1=CC(O)C(O)c2cc(O)c(O)cc21)c1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.35 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.43 | Num_heavy_atoms: | 35 |
| TPSA: | 217.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD55469
Formula: C17H14O7
Smiles:
O=C(C1=CC(O)C(O)c2cc(O)c(O)cc21)c1ccc(O)c(O)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 138.45 | NumAromaticRings: | 2 |
