Glycoside
GD136271
Name:
Bugbanoside CFormula:
C37H56O12Smiles:
CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CC=C3C2(C)C(O)C(=O)C(C(C)CC(=O)C(O)C(C)(C)O)C12CAglycone:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CC=C3C2(C)C(O)C(=O)C(C(C)CC(=O)C(O)C(C)(C)O)C12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 8 |
| MolWt: | 692.84 | Num_heavy_atoms: | 49 |
| TPSA: | 200.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD55075
Formula: C32H48O8
Smiles:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CC=C3C2(C)C(O)C(=O)C(C(C)CC(=O)C(O)C(C)(C)O)C12C| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 3.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 560.73 | Num_heavy_atoms: | 40 |
| TPSA: | 141.36 | NumAromaticRings: | 0 |
