Glycoside
GD123843
Name:
pelargonidin 3-o-[2-o-(beta-d-xylopyranosyl)-6-o-(methyl-malonyl)-bata-d-galactopyranoside]Formula:
C30H35O17Smiles:
COC(=O)CC(=O)OCC1OC(OC2=Cc3c(O)cc(O)cc3OC2c2ccc([OH2+])cc2)C(OC2OCC(O)C(O)C2O)C(O)C1OAglycone:
COC(=O)CC(=O)OC.OC1=Cc2c(O)cc(O)cc2OC1c1ccc([OH2+])cc1Sugarmoiety:
OC1COC(OC2C(O)OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.47 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 9 |
| MolWt: | 667.59 | Num_heavy_atoms: | 47 |
| TPSA: | 263.26 | NumAromaticRings: | 2 |
Unique Aglycone
AD21942
Formula: C5H8O4
Smiles:
COC(=O)CC(=O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 132.12 | Num_heavy_atoms: | 9 |
| TPSA: | 52.6 | NumAromaticRings: | 0 |
AD45029
Formula: C15H13O5
Smiles:
OC1=Cc2c(O)cc(O)cc2OC1c1ccc([OH2+])cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 273.26 | Num_heavy_atoms: | 20 |
| TPSA: | 92.82 | NumAromaticRings: | 2 |
