Glycoside
GD126636
Name:
9-(2H-1,3-benzodioxol-5-yl)-4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl)oxy]-6-hydroxy-7-methoxy-1H,3H-naphtho[2,3-c]furan-1-oneFormula:
C30H30O15Smiles:
COc1cc2c(-c3ccc4c(c3)OCO4)c3c(c(OC4OCC(O)(CO)C4OC4OCC(O)(CO)C4O)c2cc1O)COC3=OAglycone:
COc1cc2c(-c3ccc4c(c3)OCO4)c3c(c(O)c2cc1O)COC3=OSugarmoiety:
OCC1(O)COC(OC2C(O)OCC2(O)CO)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 630.56 | Num_heavy_atoms: | 45 |
| TPSA: | 212.29 | 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 |
