Glycoside
GD151724
Name:
5-(6-carboxy-2,3,4-trihydroxyphenoxy)-2-[2,3-dihydroxy-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)phenoxy]-3,4-dihydroxybenzoic acidFormula:
C27H24O20Smiles:
O=C(OC1OC(CO)C(O)C(O)C1O)c1cc(O)c(O)c(Oc2c(C(=O)O)cc(Oc3c(C(=O)O)cc(O)c(O)c3O)c(O)c2O)c1Aglycone:
O=C(O)c1cc(O)c(O)c(Oc2c(C(=O)O)cc(Oc3c(C(=O)O)cc(O)c(O)c3O)c(O)c2O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 13 | FractionCSP3: | 0.22 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 9 |
| MolWt: | 668.47 | Num_heavy_atoms: | 47 |
| TPSA: | 351.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD60475
Formula: C21H14O15
Smiles:
O=C(O)c1cc(O)c(O)c(Oc2c(C(=O)O)cc(Oc3c(C(=O)O)cc(O)c(O)c3O)c(O)c2O)c1| HBA: | 15 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.0 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 506.33 | Num_heavy_atoms: | 36 |
| TPSA: | 271.97 | NumAromaticRings: | 3 |
