Glycoside
GD036023
Name:
MONILOSIDE CFormula:
C33H58O9Smiles:
CO[C@@H]1[C@H](O[C@@H]2CC[C@@]3(C)[C@@H]4CC[C@@]5(C)[C@H]([C@H](C)CC[C@H](O)C(C)C)C[C@@H](O)[C@H]5[C@@H]4C[C@@H](O)[C@@H]3[C@H]2O)OC[C@H](O)[C@H]1OAglycone:
CC(C)C(O)CCC(C)C1CC(O)C2C3CC(O)C4C(O)C(O)CCC4(C)C3CCC12CSugarmoiety:
COC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 598.82 | Num_heavy_atoms: | 42 |
| TPSA: | 149.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD08178
Formula: C27H48O5
Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2C3CC(O)C4C(O)C(O)CCC4(C)C3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.68 | Num_heavy_atoms: | 32 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
