Glycoside
GD129471
Name:
delphinidin 3-(2-xylosylgalactoside)-5-(6-acetylglucoside)Formula:
C34H43O22Smiles:
CC(=O)OCC1OC(Oc2cc(O)cc3c2C=C(OC2OC(C[OH2+])C(O)C(O)C2OC2OCC(O)C(O)C2O)C(c2cc(O)c(O)c(O)c2)O3)C(O)C(O)C1OAglycone:
COC(C)=O.OC1=Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1COC(OC2C(O)OC(C[OH2+])C(O)C2O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.56 |
| AlogP: | -4.25 | Num_rotatable_bonds: | 10 |
| MolWt: | 803.7 | Num_heavy_atoms: | 56 |
| TPSA: | 356.57 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD45104
Formula: C15H12O7
Smiles:
OC1=Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 130.61 | NumAromaticRings: | 2 |
