Glycoside
GD001275
Name:
NoneFormula:
C51H78O16Smiles:
CC[C@H](C)[C@@H]1O[C@@]2(CC(OC(C)=O)[C@H]1C)C[C@@H]1C[C@H](CC=C(C)[C@H](OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)[C@H](C)C=CC=C3CO[C@@H]4[C@H](OC)C(C)=C[C@H](C(=O)O1)[C@]34O)O2Aglycone:
CCC(C)C1OC2(CC3CC(CC=C(C)C(O)C(C)C=CC=C4COC5C(OC)C(C)=CC(C(=O)O3)C45O)O2)CC(OC(C)=O)C1CSugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 5.8 | Num_rotatable_bonds: | 10 |
| MolWt: | 947.17 | Num_heavy_atoms: | 67 |
| TPSA: | 185.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD01310
Formula: C37H54O10
Smiles:
CCC(C)C1OC2(CC3CC(CC=C(C)C(O)C(C)C=CC=C4COC5C(OC)C(C)=CC(C(=O)O3)C45O)O2)CC(OC(C)=O)C1C| HBA: | 10 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 4.73 | Num_rotatable_bonds: | 4 |
| MolWt: | 658.83 | Num_heavy_atoms: | 47 |
| TPSA: | 129.98 | NumAromaticRings: | 0 |
