Glycoside
GD008333
Name:
NoneFormula:
C41H46O21Smiles:
CO[C@H]1O[C@@H](COc2cc(O)c3c(=O)c(-c4ccc(OC[C@H]5O[C@@H](OC)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]5OC(C)=O)cc4)coc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COc1ccc(-c2coc3cc(OC)cc(O)c3c2=O)cc1Sugarmoiety:
COC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.COC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.49 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 15 |
| MolWt: | 874.8 | Num_heavy_atoms: | 62 |
| TPSA: | 263.62 | NumAromaticRings: | 3 |
Unique Aglycone
AD06665
Formula: C17H14O5
Smiles:
COc1ccc(-c2coc3cc(OC)cc(O)c3c2=O)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 298.29 | Num_heavy_atoms: | 22 |
| TPSA: | 68.9 | NumAromaticRings: | 3 |
