Glycoside
GD011920
Name:
JUNCEELLOSIDE EFormula:
C35H56O8Smiles:
C=C(CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(CO)[C@H]3CC[C@@]12C)C(C)(C)OC(C)=OAglycone:
C=C(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(CO)C3CCC12C)C(C)(C)OC(C)=OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 4.68 | Num_rotatable_bonds: | 9 |
| MolWt: | 604.83 | Num_heavy_atoms: | 43 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD09036
Formula: C30H48O4
Smiles:
C=C(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(CO)C3CCC12C)C(C)(C)OC(C)=O| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 6.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
