Glycoside
GD014210
Name:
ACODONTASTEROSIDE IFormula:
C34H56O8Smiles:
CC(C)C(=CCO[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)CC[C@H](C)[C@@H]1C[C@H](O)C2=C3C[C@H](O)[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]21CAglycone:
CC(C)C(=CCO)CCC(C)C1CC(O)C2=C3CC(O)C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 592.81 | Num_heavy_atoms: | 42 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD10484
Formula: C29H48O4
Smiles:
CC(C)C(=CCO)CCC(C)C1CC(O)C2=C3CC(O)C4CC(O)CCC4(C)C3CCC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 5.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 460.7 | Num_heavy_atoms: | 33 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
