Glycoside
GD030908
Name:
NoneFormula:
C21H30O15Smiles:
C[C@]1(O)C(O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)=CC2=CCO[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]21Aglycone:
CC1(O)C(O)=CC2=CCOC(O)C21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.76 |
| AlogP: | -4.74 | Num_rotatable_bonds: | 6 |
| MolWt: | 522.46 | Num_heavy_atoms: | 36 |
| TPSA: | 245.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD19977
Formula: C9H12O4
Smiles:
CC1(O)C(O)=CC2=CCOC(O)C21| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
