Glycoside
GD136682
Name:
Alangisesquin DFormula:
C37H48O16Smiles:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C3Oc4c(OC)cc(CCCO)cc4C3COC3OC(CO)C(O)C(O)C3O)cc2OC)ccc1OAglycone:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C3Oc4c(OC)cc(CCCO)cc4C3CO)cc2OC)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.51 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 17 |
| MolWt: | 748.78 | Num_heavy_atoms: | 53 |
| TPSA: | 235.68 | NumAromaticRings: | 3 |
Unique Aglycone
AD55256
Formula: C31H38O11
Smiles:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C3Oc4c(OC)cc(CCCO)cc4C3CO)cc2OC)ccc1O| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 14 |
| MolWt: | 586.63 | Num_heavy_atoms: | 42 |
| TPSA: | 156.53 | NumAromaticRings: | 3 |
