Glycoside
GD019806
Name:
MONILOSIDE FFormula:
C40H68O15Smiles:
CO[C@H]1[C@H](O)[C@@H](OCC[C@H](C=C[C@H](C)[C@@H]2[C@H](O)[C@H](O)[C@H]3[C@@]2(C)CC[C@H]2[C@@]3(O)C[C@H](O)[C@@H]3[C@H](O)[C@H](O)CC[C@]32C)C(C)C)OC[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(C)C(C=CC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)CCOSugarmoiety:
COC1C(OC2OCC(O)C(O)C2O)COC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 11 |
| MolWt: | 788.97 | Num_heavy_atoms: | 55 |
| TPSA: | 248.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD13777
Formula: C29H50O7
Smiles:
CC(C)C(C=CC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)CCO| HBA: | 7 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 510.71 | Num_heavy_atoms: | 36 |
| TPSA: | 141.61 | NumAromaticRings: | 0 |