Glycoside

GD150218
Name:
DihydrophellosideFormula:
C32H42O17Smiles:
CC(C)(CCc1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c2c1OC(c1ccc(O)cc1)C(O)C2=O)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)(O)CCc1c(O)cc(O)c2c1OC(c1ccc(O)cc1)C(O)C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 17 | RingCount: | 5 |
HBD: | 11 | FractionCSP3: | 0.59 |
AlogP: | -2.52 | Num_rotatable_bonds: | 10 |
MolWt: | 698.67 | Num_heavy_atoms: | 49 |
TPSA: | 285.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD60020
Formula: C20H22O7
Smiles:
CC(C)(O)CCc1c(O)cc(O)c2c1OC(c1ccc(O)cc1)C(O)C2=OHBA: | 7 | RingCount: | 3 |
HBD: | 5 | FractionCSP3: | 0.35 |
AlogP: | 2.18 | Num_rotatable_bonds: | 4 |
MolWt: | 374.39 | Num_heavy_atoms: | 27 |
TPSA: | 127.45 | NumAromaticRings: | 2 |