Glycoside
GD147609
Name:
5-carboxypyranocyanidin 3-o-beta-glucopyranosideFormula:
C24H23O13Smiles:
O=C(O)C1=CC2=C(OC3OC(C[OH2+])C(O)C(O)C3O)C(c3ccc(O)c(O)c3)Oc3cc(O)cc(c32)O1Aglycone:
O=C(O)C1=CC2=C(O)C(c3ccc(O)c(O)c3)Oc3cc(O)cc(c32)O1Sugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.29 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 519.44 | Num_heavy_atoms: | 37 |
| TPSA: | 218.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD51401
Formula: C18H12O8
Smiles:
O=C(O)C1=CC2=C(O)C(c3ccc(O)c(O)c3)Oc3cc(O)cc(c32)O1| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 2 |
| MolWt: | 356.29 | Num_heavy_atoms: | 26 |
| TPSA: | 136.68 | NumAromaticRings: | 2 |
