Glycoside
GD125502
Name:
cyanidin 3-o-(2''-o-galloyl-6''-o-alpha-rhamnopyranosyl-beta-galactopyran+Formula:
C34H37O19Smiles:
CC1OC(OCC2OC(OC3=C(c4ccc(O)c(O)c4)OC4C=C([OH2+])C=C(O)C4=C3)C(OC(=O)c3cc(O)c(O)c(O)c3)C(O)C2O)C(O)C(O)C1OAglycone:
O=C(O)c1cc(O)c(O)c(O)c1.OC1=CC([OH2+])=CC2OC(c3ccc(O)c(O)c3)=C(O)C=C12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.38 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 749.65 | Num_heavy_atoms: | 53 |
| TPSA: | 317.88 | 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 |
AD45113
Formula: C15H13O6
Smiles:
OC1=CC([OH2+])=CC2OC(c3ccc(O)c(O)c3)=C(O)C=C12| HBA: | 6 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 289.26 | Num_heavy_atoms: | 21 |
| TPSA: | 113.05 | NumAromaticRings: | 1 |
