Glycoside
GD030961
Name:
NoneFormula:
C40H64O12Smiles:
CC(C)C[C@H](O)C[C@@]1(C)OC(=O)[C@@]23CC[C@@H]4C(=CC[C@@H]5C(C)(C)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@@]2(C)CC[C@H]13Aglycone:
CC(C)CC(O)CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CCC13Sugarmoiety:
OC1COC(OC2C(O)OCC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 8 |
| MolWt: | 736.94 | Num_heavy_atoms: | 52 |
| TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD20003
Formula: C30H48O4
Smiles:
CC(C)CC(O)CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CCC13| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 6.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
