Glycoside
GD145360
Name:
cyanidin 3-o-(2''-(5'''-(e-caffeoyl)-beta-apiofuranosyl)-beta-xylopyranos+Formula:
C34H35O17Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC1(O)COC(OC2C(OC3=C(c4ccc(O)c(O)c4)OC4C=C([OH2+])C=C(O)C4=C3)OCC(O)C2O)C1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.OC1=CC([OH2+])=CC2OC(c3ccc(O)c(O)c3)=C(O)C=C12Sugarmoiety:
OC1COC(O)C(OC2OCC(O)(O)C2O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.32 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 9 |
| MolWt: | 715.64 | Num_heavy_atoms: | 51 |
| TPSA: | 277.42 | NumAromaticRings: | 2 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | 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 |
