Glycoside
GD142677
Name:
9-(2H-1,3-benzodioxol-5-yl)-7-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1H,3H-naphtho[2,3-c]furan-1-oneFormula:
C31H32O16Smiles:
COc1cc2c(-c3ccc4c(c3)OCO4)c3c(c(OC4OCC(O)C(O)C4O)c2cc1OC1OC(CO)C(O)C(O)C1O)COC3=OAglycone:
COc1cc2c(-c3ccc4c(c3)OCO4)c3c(c(O)c2cc1O)COC3=OSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 660.58 | Num_heavy_atoms: | 47 |
| TPSA: | 232.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD51255
Formula: C20H14O7
Smiles:
COc1cc2c(-c3ccc4c(c3)OCO4)c3c(c(O)c2cc1O)COC3=O| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 366.33 | Num_heavy_atoms: | 27 |
| TPSA: | 94.45 | NumAromaticRings: | 3 |
