Glycoside
GD150938
Name:
2'-(5''-O-E-Feruloylapiosyl)PhyllocactinFormula:
C42H44O23N2Smiles:
COc1cc(C=CC(=O)OCC2(O)COC(OC3C(Oc4cc5c(cc4O)N(C=CC4=CC(C(=O)O)=NC(C(=O)O)C4)C(C(=O)O)C5)OC(COC(=O)CC(=O)O)C(O)C3O)C2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.COC(=O)CC(=O)O.O=C(O)C1=NC(C(=O)O)CC(C=CN2c3cc(O)c(O)cc3CC2C(=O)O)=C1Sugarmoiety:
OC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.4 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 18 |
| MolWt: | 944.81 | Num_heavy_atoms: | 67 |
| TPSA: | 384.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD11471
Formula: C18H16O8N2
Smiles:
O=C(O)C1=NC(C(=O)O)CC(C=CN2c3cc(O)c(O)cc3CC2C(=O)O)=C1| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.22 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 388.33 | Num_heavy_atoms: | 28 |
| TPSA: | 167.96 | NumAromaticRings: | 1 |
