Glycoside
GD028471
Name:
NoneFormula:
C41H56O16Smiles:
CCCCCCCc1cc(OC(=O)c2c(CCCCCCC)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2O)cc(O)c1C(=O)O[C@@H]1C(=O)C(CO)=C[C@H](O)[C@H]1OAglycone:
CCCCCCCc1cc(O)cc(O)c1C(=O)Oc1cc(O)c(C(=O)OC2C(=O)C(CO)=CC(O)C2O)c(CCCCCCC)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.59 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 19 |
| MolWt: | 804.88 | Num_heavy_atoms: | 57 |
| TPSA: | 281.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD18591
Formula: C35H46O11
Smiles:
CCCCCCCc1cc(O)cc(O)c1C(=O)Oc1cc(O)c(C(=O)OC2C(=O)C(CO)=CC(O)C2O)c(CCCCCCC)c1| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.51 |
| AlogP: | 4.8 | Num_rotatable_bonds: | 17 |
| MolWt: | 642.74 | Num_heavy_atoms: | 46 |
| TPSA: | 191.05 | NumAromaticRings: | 2 |
