Glycoside
GD155891
Name:
4'-CinnamoylmussatiosideFormula:
C34H44O16Smiles:
CC1OC(OCC2OC(OCCc3ccc(O)cc3)C(O)C(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1OC(=O)C=Cc1ccccc1Aglycone:
O=C(O)C=Cc1ccccc1.OCCc1ccc(O)cc1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 12 |
| MolWt: | 708.71 | Num_heavy_atoms: | 50 |
| TPSA: | 243.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD00362
Formula: C9H8O2
Smiles:
O=C(O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD03863
Formula: C8H10O2
Smiles:
OCCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
