Glycoside
GD015994
Name:
NoneFormula:
C31H50O9Smiles:
C=CCCCC[C@H](C)O[C@@H]1O[C@H](C)[C@H](O)C[C@H]1OC(=O)C[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3Aglycone:
C=CCCCCC(C)O.CC1CCC2C(C)C(CC(=O)O)OC3OC4(C)CCC1C32OO4Sugarmoiety:
CC1OC(O)C(O)CC1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 5.19 | Num_rotatable_bonds: | 10 |
| MolWt: | 566.73 | Num_heavy_atoms: | 40 |
| TPSA: | 101.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD07803
Formula: C17H26O6
Smiles:
CC1CCC2C(C)C(CC(=O)O)OC3OC4(C)CCC1C32OO4| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 326.39 | Num_heavy_atoms: | 23 |
| TPSA: | 74.22 | NumAromaticRings: | 0 |
AD11566
Formula: C8H16O
Smiles:
C=CCCCCC(C)O| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 128.21 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
