Glycoside
GD120330
Name:
Globulusin BFormula:
C23H30O12Smiles:
CC(C)(O)C1CC=C(C(=O)OC2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)CC1Aglycone:
CC(C)(O)C1CC=C(C(=O)O)CC1.COC(=O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 6 |
| MolWt: | 498.48 | Num_heavy_atoms: | 35 |
| TPSA: | 203.44 | 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 |
AD17498
Formula: C10H16O3
Smiles:
CC(C)(O)C1CC=C(C(=O)O)CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 2 |
| MolWt: | 184.23 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
