Glycoside
GD006816
Name:
NoneFormula:
C52H74O15Smiles:
CCC(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(OC(C)=O)C(C)O4)C(C)O3)[C@H](C)C=CC=C3COc4cc(C)cc(c43)C(=O)O1)O2Aglycone:
CCC(C)C1OC2(CC3CC(CC=C(C)C(O)C(C)C=CC=C4COc5cc(C)cc(c54)C(=O)O3)O2)CC(OC(C)=O)C1CSugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 0 | FractionCSP3: | 0.71 |
| AlogP: | 8.12 | Num_rotatable_bonds: | 10 |
| MolWt: | 939.15 | Num_heavy_atoms: | 67 |
| TPSA: | 161.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD05598
Formula: C36H48O8
Smiles:
CCC(C)C1OC2(CC3CC(CC=C(C)C(O)C(C)C=CC=C4COc5cc(C)cc(c54)C(=O)O3)O2)CC(OC(C)=O)C1C| HBA: | 8 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.61 |
| AlogP: | 6.48 | Num_rotatable_bonds: | 3 |
| MolWt: | 608.77 | Num_heavy_atoms: | 44 |
| TPSA: | 100.52 | NumAromaticRings: | 1 |
