Glycoside
GD016530
Name:
NoneFormula:
C43H68O18Smiles:
CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](OC2OC(C)C(OC(C)=O)C(=O)C2OC(C)=O)[C@H](CC(OC)OC)C[C@H](C)C(=O)C=CC(C)=C[C@H]1COC1OC(C)C(O)C(OC)C1OCAglycone:
CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(OC(C)=O)C(=O)C2OC(C)=O)C(CC(OC)OC)CC(C)C(=O)C=CC(C)=CC1COSugarmoiety:
COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 14 |
| MolWt: | 873.0 | Num_heavy_atoms: | 61 |
| TPSA: | 227.34 | NumAromaticRings: | 0 |
Unique Aglycone
AD11888
Formula: C35H54O14
Smiles:
CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(OC(C)=O)C(=O)C2OC(C)=O)C(CC(OC)OC)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 14 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.74 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 10 |
| MolWt: | 698.8 | Num_heavy_atoms: | 49 |
| TPSA: | 190.42 | NumAromaticRings: | 0 |
