Glycoside
GD131198
Name:
5-carboxypyranopelargonidin 3-o-beta-glucopyranosideFormula:
C24H23O12Smiles:
O=C(O)C1=CC2=C(OC3OC(C[OH2+])C(O)C(O)C3O)C(c3ccc(O)cc3)Oc3cc(O)cc(c32)O1Aglycone:
O=C(O)C1=CC2=C(O)C(c3ccc(O)cc3)Oc3cc(O)cc(c32)O1Sugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.29 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 503.44 | Num_heavy_atoms: | 36 |
| TPSA: | 198.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD53160
Formula: C18H12O7
Smiles:
O=C(O)C1=CC2=C(O)C(c3ccc(O)cc3)Oc3cc(O)cc(c32)O1| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 2 |
| MolWt: | 340.29 | Num_heavy_atoms: | 25 |
| TPSA: | 116.45 | NumAromaticRings: | 2 |
