Glycoside
GD016203
Name:
CRATAENOSIDEFormula:
C33H54O6Smiles:
CC(C)[C@@H]1CC[C@H](C)[C@@H]2[C@H]1C[C@@H]1[C@@H]3CC=C4C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]3CC[C@]12CAglycone:
CC(C)C1CCC(C)C2C1CC1C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 4.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 546.79 | Num_heavy_atoms: | 39 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD11698
Formula: C27H44O
Smiles:
CC(C)C1CCC(C)C2C1CC1C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 1 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 6.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 384.65 | Num_heavy_atoms: | 28 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
