Glycoside
GD149747
Name:
Brainesteroside BFormula:
C33H52O10Smiles:
CC(C)CCC(O)C(C)(O)C1CC=C2C3=CC(=O)C4CC(OC5OC(CO)C(O)C(O)C5O)C(O)CC4(C)C3CCC21CAglycone:
CC(C)CCC(O)C(C)(O)C1CC=C2C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.85 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 608.77 | Num_heavy_atoms: | 43 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD59863
Formula: C27H42O5
Smiles:
CC(C)CCC(O)C(C)(O)C1CC=C2C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC21C| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 446.63 | Num_heavy_atoms: | 32 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
