Glycoside
GD118611
Name:
AceroketosideFormula:
C30H38O12Smiles:
O=C1C(O)C(COC2OCC(O)(CO)C2O)OC(OC2CCCCc3ccc(O)c(c3)Oc3ccc(cc3)CC2)C1OAglycone:
O=C1C(O)C(CO)OC(OC2CCCCc3ccc(O)c(c3)Oc3ccc(cc3)CC2)C1OSugarmoiety:
OCC1(O)COC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 590.62 | Num_heavy_atoms: | 42 |
| TPSA: | 184.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD47443
Formula: C25H30O8
Smiles:
O=C1C(O)C(CO)OC(OC2CCCCc3ccc(O)c(c3)Oc3ccc(cc3)CC2)C1O| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 458.51 | Num_heavy_atoms: | 33 |
| TPSA: | 125.68 | NumAromaticRings: | 2 |
