Glycoside
GD027096
Name:
4-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6H,7H,8H,9H,10H,11H-cyclohepta[c]chromen-6-oneFormula:
C21H26O8Smiles:
Cc1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc2c3c(c(=O)oc12)CCCCC3Aglycone:
Cc1c(O)ccc2c3c(c(=O)oc12)CCCCC3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 406.43 | Num_heavy_atoms: | 29 |
| TPSA: | 129.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD17837
Formula: C15H16O3
Smiles:
Cc1c(O)ccc2c3c(c(=O)oc12)CCCCC3| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 244.29 | Num_heavy_atoms: | 18 |
| TPSA: | 50.44 | NumAromaticRings: | 2 |
