Glycoside
GD016144
Name:
CAMPNEOSIDE IFormula:
C31H40O16Smiles:
COC(CO[C@@H]1O[C@H](CO)[C@H](OC(=O)C=Cc2ccc(O)c(O)c2)[C@H](OC[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O)c1ccc(O)c(O)c1Aglycone:
COC(CO)c1ccc(O)c(O)c1.O=C(O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
CC1OC(COC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.52 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 12 |
| MolWt: | 668.65 | Num_heavy_atoms: | 47 |
| TPSA: | 254.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD11661
Formula: C9H12O4
Smiles:
COC(CO)c1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 69.92 | NumAromaticRings: | 1 |
