Glycoside
GD116520
Name:
delphinidin 3-(6''-o-4-malyl-glucoside)-5-(6'''-o-1-malyl-glucoside)Formula:
C35H41O25Smiles:
O=C(O)CC(O)C(=O)OCC1OC(Oc2cc([OH2+])cc3c2C=C(OC2OC(COC(=O)CC(O)C(=O)O)C(O)C(O)C2O)C(c2cc(O)c(O)c(O)c2)O3)C(O)C(O)C1OAglycone:
COC(=O)C(O)CC(=O)O.COC(=O)CC(O)C(=O)O.OC1=Cc2c(O)cc([OH2+])cc2OC1c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 5 |
| HBD: | 15 | FractionCSP3: | 0.49 |
| AlogP: | -4.52 | Num_rotatable_bonds: | 15 |
| MolWt: | 861.69 | Num_heavy_atoms: | 60 |
| TPSA: | 418.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD45034
Formula: C5H8O5
Smiles:
COC(=O)CC(O)C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 148.11 | Num_heavy_atoms: | 10 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
AD45257
Formula: C15H13O7
Smiles:
OC1=Cc2c(O)cc([OH2+])cc2OC1c1cc(O)c(O)c(O)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.07 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 305.26 | Num_heavy_atoms: | 22 |
| TPSA: | 133.28 | NumAromaticRings: | 2 |
AD46285
Formula: C5H8O5
Smiles:
COC(=O)C(O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 148.11 | Num_heavy_atoms: | 10 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
