Glycoside
GD123107
Name:
4-hydroxy-6,6,7b-trimethyl-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1H,2H,4H,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-7-oneFormula:
C21H32O8Smiles:
CC1(C)CC2C(O)C(COC3OC(CO)C(O)C(O)C3O)=C3CCC3(C)C2C1=OAglycone:
CC1(C)CC2C(O)C(CO)=C3CCC3(C)C2C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 412.48 | Num_heavy_atoms: | 29 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD49657
Formula: C15H22O3
Smiles:
CC1(C)CC2C(O)C(CO)=C3CCC3(C)C2C1=O| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 1 |
| MolWt: | 250.34 | Num_heavy_atoms: | 18 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
