Glycoside
GD033773
Name:
JUNCEELLOSIDE CFormula:
C34H56O8Smiles:
CC(=O)OC(C)(C)CCC[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@@]12CAglycone:
CC(=O)OC(C)(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(CO)C3CCC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 4.51 | Num_rotatable_bonds: | 9 |
| MolWt: | 592.81 | Num_heavy_atoms: | 42 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD20324
Formula: C29H48O4
Smiles:
CC(=O)OC(C)(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(CO)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 6.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 460.7 | Num_heavy_atoms: | 33 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
