Glycoside
GD017879
Name:
NoneFormula:
C29H34O17Smiles:
C[C@@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1Oc1c(-c2ccc(O)c(O)c2)oc2cc(OCCO)cc(O)c2c1=OAglycone:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(OCCO)cc(O)c12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 9 |
| MolWt: | 654.57 | Num_heavy_atoms: | 46 |
| TPSA: | 278.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD12708
Formula: C17H14O8
Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(OCCO)cc(O)c12| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.12 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 346.29 | Num_heavy_atoms: | 25 |
| TPSA: | 140.59 | NumAromaticRings: | 3 |
