Glycoside
GD147653
Name:
C.P. 450 GlucosideFormula:
C56H82O7Smiles:
CC(C=CC=C(C)C=CC1=C(C)CCC(CC=C(C)CO)C1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCC(CC=C(C)COC2OC(CO)C(O)C(O)C2O)C1(C)CAglycone:
CC(C=CC=C(C)C=CC1=C(C)CCC(CC=C(C)CO)C1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCC(CC=C(C)CO)C1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | 11.54 | Num_rotatable_bonds: | 19 |
| MolWt: | 867.26 | Num_heavy_atoms: | 63 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD59123
Formula: C50H72O2
Smiles:
CC(C=CC=C(C)C=CC1=C(C)CCC(CC=C(C)CO)C1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCC(CC=C(C)CO)C1(C)C| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.48 |
| AlogP: | 13.72 | Num_rotatable_bonds: | 16 |
| MolWt: | 705.12 | Num_heavy_atoms: | 52 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
