Glycoside
GD143408
Name:
NoneFormula:
C48H78O16Smiles:
CC(C)=CCC(OC1OC(C)C(O)C(O)C1O)C(C)=CCC1(O)C(C=C(C)C(CC=C(C)C)OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(=O)C2(C)CCCC2C1CAglycone:
CC(C)=CCC(O)C(C)=CCC1(O)C(C=C(C)C(O)CC=C(C)C)C(=O)C2(C)CCCC2C1CSugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(C)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.81 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 15 |
| MolWt: | 911.14 | Num_heavy_atoms: | 64 |
| TPSA: | 254.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD51541
Formula: C30H48O4
Smiles:
CC(C)=CCC(O)C(C)=CCC1(O)C(C=C(C)C(O)CC=C(C)C)C(=O)C2(C)CCCC2C1C| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 6.08 | Num_rotatable_bonds: | 9 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
