Glycoside
GD123917
Name:
SinuatolFormula:
C21H32O13Smiles:
CC1OC(OC2C=C(CO)C3C(OC4OC(CO)C(O)C(O)C4O)OC=CC23)C(O)C(O)C1OAglycone:
OCC1=CC(O)C2C=COC(O)C12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.81 |
| AlogP: | -3.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 492.47 | Num_heavy_atoms: | 34 |
| TPSA: | 207.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD06320
Formula: C9H12O4
Smiles:
OCC1=CC(O)C2C=COC(O)C12| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
