Glycoside
GD152103
Name:
Alangisesquin AFormula:
C37H46O16Smiles:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C3Oc4c(OC)cc(C=CCO)cc4C3COC3OC(CO)C(O)C(O)C3O)cc2OC)ccc1OAglycone:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C3Oc4c(OC)cc(C=CCO)cc4C3CO)cc2OC)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 16 |
| MolWt: | 746.76 | Num_heavy_atoms: | 53 |
| TPSA: | 235.68 | NumAromaticRings: | 3 |
Unique Aglycone
AD60594
Formula: C31H36O11
Smiles:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C3Oc4c(OC)cc(C=CCO)cc4C3CO)cc2OC)ccc1O| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 13 |
| MolWt: | 584.62 | Num_heavy_atoms: | 42 |
| TPSA: | 156.53 | NumAromaticRings: | 3 |
