Glycoside
GD015301
Name:
NoneFormula:
C37H58O11Smiles:
CC(=O)O[C@H]1C[C@H]2[C@H]3CC=C4C[C@H](OC(C)=O)CC[C@@]4(C)[C@@H]3CC[C@]2(C)[C@H]1[C@H](C)C(=O)CC[C@H](C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C3CC(OC(C)=O)C2C(C)C(=O)CCC(C)CO)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 11 |
| MolWt: | 678.86 | Num_heavy_atoms: | 48 |
| TPSA: | 169.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD11135
Formula: C31H48O6
Smiles:
CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C3CC(OC(C)=O)C2C(C)C(=O)CCC(C)CO)C1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.84 |
| AlogP: | 5.65 | Num_rotatable_bonds: | 8 |
| MolWt: | 516.72 | Num_heavy_atoms: | 37 |
| TPSA: | 89.9 | NumAromaticRings: | 0 |
