Glycoside
GD132488
Name:
Gobienine CFormula:
C39H66O18Smiles:
CC1CCCCCCCCCCCCCC2OC(=O)C(C)C2C(=O)OC2C(OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)OC2C(O1)OC(CO)C(O)C2OAglycone:
CC1CCCCCCCCCCCCCC2OC(=O)C(C)C2C(=O)OC2C(OC(CO)C(O)C2O)OC2C(O1)OC(CO)C(O)C2OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 822.94 | Num_heavy_atoms: | 57 |
| TPSA: | 269.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD53648
Formula: C33H56O14
Smiles:
CC1CCCCCCCCCCCCCC2OC(=O)C(C)C2C(=O)OC2C(OC(CO)C(O)C2O)OC2C(O1)OC(CO)C(O)C2O| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 676.8 | Num_heavy_atoms: | 47 |
| TPSA: | 210.9 | NumAromaticRings: | 0 |
