Glycoside
GD128348
Name:
5-carboxypyranopelargonidin 3-o-beta-glucopyranosideFormula:
C24H23O12Smiles:
O=C(O)C1=CC2=C3C(=CC(O)=CC3OC(c3ccc(O)cc3)=C2OC2OC(C[OH2+])C(O)C(O)C2O)O1Aglycone:
O=C(O)C1=CC2=C3C(=CC(O)=CC3OC(c3ccc(O)cc3)=C2O)O1Sugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.29 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 503.44 | Num_heavy_atoms: | 36 |
| TPSA: | 198.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD51988
Formula: C18H12O7
Smiles:
O=C(O)C1=CC2=C3C(=CC(O)=CC3OC(c3ccc(O)cc3)=C2O)O1| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 2 |
| MolWt: | 340.29 | Num_heavy_atoms: | 25 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
