Glycoside
GD127947
Name:
3-(hydroxymethyl)-7-methoxy-2-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2,3-dihydro-1-benzofuran-5-carboxylic acidFormula:
C24H28O12Smiles:
COc1cc(C2Oc3c(OC)cc(C(=O)O)cc3C2CO)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C2Oc3c(OC)cc(C(=O)O)cc3C2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 508.48 | Num_heavy_atoms: | 36 |
| TPSA: | 184.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD51829
Formula: C18H18O7
Smiles:
COc1cc(C2Oc3c(OC)cc(C(=O)O)cc3C2CO)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.28 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 346.34 | Num_heavy_atoms: | 25 |
| TPSA: | 105.45 | NumAromaticRings: | 2 |
