Glycoside
GD019136
Name:
NoneFormula:
C36H64O11Smiles:
CC[C@H](C)[C@@H]1O[C@@]2(CC[C@H]1C)C[C@H](O)C[C@H](CC=C(C)[C@H](O[C@@H]1C[C@H](OC)[C@H](O[C@@H]3C[C@H](OC)[C@H](O)[C@H](C)O3)[C@H](C)O1)[C@H](C)CO)O2Aglycone:
CCC(C)C1OC2(CCC1C)CC(O)CC(CC=C(C)C(O)C(C)CO)O2Sugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 4.48 | Num_rotatable_bonds: | 13 |
| MolWt: | 672.9 | Num_heavy_atoms: | 47 |
| TPSA: | 134.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD13396
Formula: C22H40O5
Smiles:
CCC(C)C1OC2(CCC1C)CC(O)CC(CC=C(C)C(O)C(C)CO)O2| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 7 |
| MolWt: | 384.56 | Num_heavy_atoms: | 27 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
