Glycoside
GD115459
Name:
Safghanoside GFormula:
C49H60O23Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)Oc1ccc(CCOC(=O)C2=COC(OC3OC(CO)C(O)C(O)C3O)C(=CC)C2CC(=O)OCCc2ccc(O)cc2)cc1Aglycone:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)Oc1ccc(CCOC(=O)C2=COC(O)C(=CC)C2CC(=O)OCCc2ccc(O)cc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.51 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 19 |
| MolWt: | 1017.0 | Num_heavy_atoms: | 72 |
| TPSA: | 342.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD45678
Formula: C37H40O13
Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)Oc1ccc(CCOC(=O)C2=COC(O)C(=CC)C2CC(=O)OCCc2ccc(O)cc2)cc1| HBA: | 13 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 3.71 | Num_rotatable_bonds: | 13 |
| MolWt: | 692.71 | Num_heavy_atoms: | 50 |
| TPSA: | 184.35 | NumAromaticRings: | 2 |
