Glycoside
GD017576
Name:
(S)-Alpha-Terpinyl [Alpha-L-(2-O-Galloyl)Arabinofuranosyl]-(1-6)-Beta-D-G+Formula:
C28H40O14Smiles:
CC1=CC[C@H](C(C)(C)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H]3OC(=O)c3cc(O)c(O)c(O)c3)[C@H](O)[C@H](O)[C@H]2O)CC1Aglycone:
CC1=CCC(C(C)(C)O)CC1.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.68 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 9 |
| MolWt: | 600.61 | Num_heavy_atoms: | 42 |
| TPSA: | 225.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
AD02252
Formula: C10H18O
Smiles:
CC1=CCC(C(C)(C)O)CC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.25 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
