Glycoside
GD155862
Name:
NoneFormula:
C31H46O8Smiles:
C=CC1CCC2C3CC=C4CC(OC5OC(COC(C)=O)C(OC(C)=O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
C=CC1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 546.7 | Num_heavy_atoms: | 39 |
| TPSA: | 111.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD00756
Formula: C21H32O
Smiles:
C=CC1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | 5.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 300.49 | Num_heavy_atoms: | 22 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
