Glycoside
GD135867
Name:
Angudracanoside EFormula:
C32H50O12SSmiles:
CC1CCC2(OC1)OC1CC3C4C(O)C=C5CC(O)CC(OC6OCC(OS(=O)(=O)O)C(O)C6O)C5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4C(O)C=C5CC(O)CC(O)C5(C)C4CCC3(C)C1C2C.O=S(=O)(O)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 4 |
| MolWt: | 658.81 | Num_heavy_atoms: | 45 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD54932
Formula: C27H42O5
Smiles:
CC1CCC2(OC1)OC1CC3C4C(O)C=C5CC(O)CC(O)C5(C)C4CCC3(C)C1C2C| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 0 |
| MolWt: | 446.63 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
