Glycoside
GD127169
Name:
Rubusside AFormula:
C40H64O11Smiles:
CC(C)C1OCC2(C)C(O1)C(O)CC1(C)C2CCC2(C)C1CC=C1C3C(C(=O)OC4OC(CO)C(O)C(O)C4O)(CCC(C)C3(C)O)CCC12CAglycone:
CC(C)C1OCC2(C)C(O1)C(O)CC1(C)C2CCC2(C)C1CC=C1C3C(C(=O)O)(CCC(C)C3(C)O)CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 720.94 | Num_heavy_atoms: | 51 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD51487
Formula: C34H54O6
Smiles:
CC(C)C1OCC2(C)C(O1)C(O)CC1(C)C2CCC2(C)C1CC=C1C3C(C(=O)O)(CCC(C)C3(C)O)CCC12C| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 6.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 558.8 | Num_heavy_atoms: | 40 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
