Glycoside
GD011528
Name:
9-(2H-1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-[(3,4,5-trimethoxyoxan-2-yl)oxy]-1H,3H-naphtho[2,3-c]furan-1-oneFormula:
C29H30O11Smiles:
COc1cc2c(O[C@@H]3OC[C@H](OC)[C@H](OC)[C@H]3OC)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3Aglycone:
COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3Sugarmoiety:
COC1COC(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.41 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 8 |
| MolWt: | 554.55 | Num_heavy_atoms: | 40 |
| TPSA: | 109.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD00663
Formula: C21H16O7
Smiles:
COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 380.35 | Num_heavy_atoms: | 28 |
| TPSA: | 83.45 | NumAromaticRings: | 3 |
