Glycoside
GD118916
Name:
Dichotomoside BFormula:
C30H40O13Smiles:
CCCCOC(=O)CCc1cc(OC)c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(CCC(=O)O)cc(OC)c2O)c1Aglycone:
CCCCOC(=O)CCc1cc(OC)c(O)c(-c2cc(CCC(=O)O)cc(OC)c2O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 15 |
| MolWt: | 608.64 | Num_heavy_atoms: | 43 |
| TPSA: | 201.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD47589
Formula: C24H30O8
Smiles:
CCCCOC(=O)CCc1cc(OC)c(O)c(-c2cc(CCC(=O)O)cc(OC)c2O)c1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 12 |
| MolWt: | 446.5 | Num_heavy_atoms: | 32 |
| TPSA: | 122.52 | NumAromaticRings: | 2 |
