Glycoside
GD151311
Name:
Cimiracemoside EFormula:
C37H58O11Smiles:
CC(=O)OC(C1CC(CO)C2C(O1)C(=O)C1(C)C3CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35CCC21C)C(C)(C)OAglycone:
CC(=O)OC(C1CC(CO)C2C(O1)C(=O)C1(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC21C)C(C)(C)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 678.86 | Num_heavy_atoms: | 48 |
| TPSA: | 172.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD60358
Formula: C32H50O7
Smiles:
CC(=O)OC(C1CC(CO)C2C(O1)C(=O)C1(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC21C)C(C)(C)O| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 4.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 546.75 | Num_heavy_atoms: | 39 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
