Glycoside
GD148766
Name:
Phyllanemblinin EFormula:
C27H26O20Smiles:
O=C(O)CC(C(=O)OC1C(CO)OC(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C1O)C1c2c(cc(O)c(O)c2O)C(=O)OC1C(=O)OAglycone:
O=C(O)CC(C(=O)O)C1c2c(cc(O)c(O)c2O)C(=O)OC1C(=O)O.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.37 |
| AlogP: | -2.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 670.49 | Num_heavy_atoms: | 47 |
| TPSA: | 344.8 | NumAromaticRings: | 2 |
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 |
AD57273
Formula: C14H12O11
Smiles:
O=C(O)CC(C(=O)O)C1c2c(cc(O)c(O)c2O)C(=O)OC1C(=O)O| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 356.24 | Num_heavy_atoms: | 25 |
| TPSA: | 198.89 | NumAromaticRings: | 1 |
