Glycoside
GD026087
Name:
DINOXIN BFormula:
C34H48O11Smiles:
CC1=C(CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(=O)O[C@H]([C@H](CO)[C@@H]2CC[C@@H]3[C@@H]4CC=C5CC=CC(=O)[C@@]5(C)[C@H]4C[C@H](O)[C@@]23C)C1Aglycone:
CC1=C(CO)C(=O)OC(C(CO)C2CCC3C4CC=C5CC=CC(=O)C5(C)C4CC(O)C23C)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 7 |
| MolWt: | 632.75 | Num_heavy_atoms: | 45 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD17223
Formula: C28H38O6
Smiles:
CC1=C(CO)C(=O)OC(C(CO)C2CCC3C4CC=C5CC=CC(=O)C5(C)C4CC(O)C23C)C1| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 470.61 | Num_heavy_atoms: | 34 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
