Glycoside
GD126481
Name:
6,7,9-trimethoxy-4-(6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-1,3-benzodioxol-5-yl)-1H,3H-naphtho[2,3-c]furan-1-oneFormula:
C28H28O13Smiles:
COc1cc2c(OC)c3c(c(-c4cc5c(cc4OC4OC(CO)C(O)C(O)C4O)OCO5)c2cc1OC)COC3=OAglycone:
COc1cc2c(OC)c3c(c(-c4cc5c(cc4O)OCO5)c2cc1OC)COC3=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 572.52 | Num_heavy_atoms: | 41 |
| TPSA: | 171.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD51180
Formula: C22H18O8
Smiles:
COc1cc2c(OC)c3c(c(-c4cc5c(cc4O)OCO5)c2cc1OC)COC3=O| HBA: | 8 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 3.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 410.38 | Num_heavy_atoms: | 30 |
| TPSA: | 92.68 | NumAromaticRings: | 3 |
