Glycoside
GD150767
Name:
c-2 addition product of anthocyanin isomer 1Formula:
C30H36O16Smiles:
CC(=O)CC1(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2C=C1OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(=O)CC1(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2C=C1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.5 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 652.6 | Num_heavy_atoms: | 46 |
| TPSA: | 265.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD60184
Formula: C18H16O7
Smiles:
CC(=O)CC1(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2C=C1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.17 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 344.32 | Num_heavy_atoms: | 25 |
| TPSA: | 127.45 | NumAromaticRings: | 2 |
