Glycoside
GD122982
Name:
Cp 120509Formula:
C45H76O17Smiles:
COC1CCC(OC2CC(C3OC(O)(CO)C(C)CC3C)OC2C2(C)CCC(C3(C)CCC4(CC(O)C(C)C(C(C)C5OC(O)(CC(=O)O)C(C)C(O)C5OC)O4)O3)O2)OC1CAglycone:
CCC1OC2(CCC(C)(C3CCC(C)(C4OC(C5OC(O)(CO)C(C)CC5C)CC4OC4CCC(OC)C(C)O4)O3)O2)CC(O)C1CSugarmoiety:
COC1C(O)OC(O)(CC(=O)O)C(C)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.98 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 12 |
| MolWt: | 889.09 | Num_heavy_atoms: | 62 |
| TPSA: | 230.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD49603
Formula: C36H62O11
Smiles:
CCC1OC2(CCC(C)(C3CCC(C)(C4OC(C5OC(O)(CO)C(C)CC5C)CC4OC4CCC(OC)C(C)O4)O3)O2)CC(O)C1C| HBA: | 11 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 4.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 670.88 | Num_heavy_atoms: | 47 |
| TPSA: | 134.53 | NumAromaticRings: | 0 |
