Glycoside
GD139678
Name:
Globulusin AFormula:
C23H32O11Smiles:
CC1(C)OC2(C)CCC1CC2OC1OC(COC(=O)c2cc(O)c(O)c(O)c2)C(O)C(O)C1OAglycone:
CC1(C)OC2(C)CCC1CC2O.COC(=O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.7 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 484.5 | Num_heavy_atoms: | 34 |
| TPSA: | 175.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD22132
Formula: C10H18O2
Smiles:
CC1(C)OC2(C)CCC1CC2O| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 0 |
| MolWt: | 170.25 | Num_heavy_atoms: | 12 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
