Glycoside
GD153665
Name:
Tomentoside IiiFormula:
C39H60O10Smiles:
CC=CC(=O)OC1COC(OC2CCC34CC35CCC3(C)C6C(C)CC(OCC)OC6CC3(C)C5CC(OC(C)=O)C4C2(C)C)C(O)C1OAglycone:
CC=CC(=O)O.CCOC1CC(C)C2C(CC3(C)C4CC(OC(C)=O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 5.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 688.9 | Num_heavy_atoms: | 49 |
| TPSA: | 129.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD04131
Formula: C4H6O2
Smiles:
CC=CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 1 |
| MolWt: | 86.09 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD44897
Formula: C30H48O5
Smiles:
CCOC1CC(C)C2C(CC3(C)C4CC(OC(C)=O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1| HBA: | 5 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.97 |
| AlogP: | 5.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 64.99 | NumAromaticRings: | 0 |
