Glycoside
GD134619
Name:
sagittasine aFormula:
C39H50O20Smiles:
C=C(C)C(O)Cc1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c2c(=O)c(OC3OC(C)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)c(-c3ccc(OC)cc3)oc12Aglycone:
C=C(C)C(O)Cc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(OC)cc3)oc12Sugarmoiety:
CC1OC(OC2C(O)OC(C)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.56 |
| AlogP: | -2.11 | Num_rotatable_bonds: | 12 |
| MolWt: | 838.81 | Num_heavy_atoms: | 59 |
| TPSA: | 317.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD54453
Formula: C21H20O7
Smiles:
C=C(C)C(O)Cc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(OC)cc3)oc12| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 384.38 | Num_heavy_atoms: | 28 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
