Glycoside
GD124838
Name:
7-hydroxy-8,8-dimethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,6H,7H,8H,9H-cyclohexa[g]chromen-2-oneFormula:
C21H26O9Smiles:
CC1(C)Cc2c(cc3ccc(=O)oc3c2OC2OC(CO)C(O)C(O)C2O)CC1OAglycone:
CC1(C)Cc2c(cc3ccc(=O)oc3c2O)CC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 422.43 | Num_heavy_atoms: | 30 |
| TPSA: | 149.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD50456
Formula: C15H16O4
Smiles:
CC1(C)Cc2c(cc3ccc(=O)oc3c2O)CC1O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 0 |
| MolWt: | 260.29 | Num_heavy_atoms: | 19 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
