Glycoside
GD156385
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-2H,5H,6H,7H,8H-naphtho[2,3-d][1,3]dioxole-6-carboxylateFormula:
C28H34O13Smiles:
COc1cc(C2c3cc4c(cc3CC(CO)C2C(=O)OC2OC(CO)C(O)C(O)C2O)OCO4)cc(OC)c1OCAglycone:
COc1cc(C2c3cc4c(cc3CC(CO)C2C(=O)O)OCO4)cc(OC)c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 578.57 | Num_heavy_atoms: | 41 |
| TPSA: | 182.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD61931
Formula: C22H24O8
Smiles:
COc1cc(C2c3cc4c(cc3CC(CO)C2C(=O)O)OCO4)cc(OC)c1OC| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.41 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 416.43 | Num_heavy_atoms: | 30 |
| TPSA: | 103.68 | NumAromaticRings: | 2 |
