Glycoside
GD118630
Name:
9-(2H-1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-1H,3H-naphtho[2,3-c]furan-1-oneFormula:
C27H26O12Smiles:
COc1cc2c(OCC3OC(O)C(O)C(O)C3O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3Aglycone:
COc1cc2c(OC)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 542.49 | Num_heavy_atoms: | 39 |
| TPSA: | 162.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD47451
Formula: C22H18O7
Smiles:
COc1cc2c(OC)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3| HBA: | 7 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.23 |
| AlogP: | 3.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 394.38 | Num_heavy_atoms: | 29 |
| TPSA: | 72.45 | NumAromaticRings: | 3 |
