Glycoside
GD029395
Name:
NoneFormula:
C37H56O15Smiles:
C=C[C@](C)(CCC=C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](C)[C@H](OCC=Cc3ccc(O)cc3)[C@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
C=CC(C)(O)CCC=C(C)C.OCC=Cc1ccc(O)cc1Sugarmoiety:
CC1OC(OC2C(O)C(C)OC(OCC3OC(O)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.68 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 15 |
| MolWt: | 740.84 | Num_heavy_atoms: | 52 |
| TPSA: | 226.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD10262
Formula: C10H18O
Smiles:
C=CC(C)(O)CCC=C(C)C| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 154.25 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD16632
Formula: C9H10O2
Smiles:
OCC=Cc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
