Glycoside
GD146342
Name:
apigeninidin 5-(5''-caffeylarabinoside)Formula:
C29H27O11Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC1OC(Oc2cc(O)cc3c2C=CC(c2ccc([OH2+])cc2)O3)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.Oc1cc(O)c2c(c1)OC(c1ccc([OH2+])cc1)C=C2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.21 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 551.52 | Num_heavy_atoms: | 40 |
| TPSA: | 178.04 | NumAromaticRings: | 3 |
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 |
AD58693
Formula: C15H13O4
Smiles:
Oc1cc(O)c2c(c1)OC(c1ccc([OH2+])cc1)C=C2| HBA: | 4 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 1 |
| MolWt: | 257.26 | Num_heavy_atoms: | 19 |
| TPSA: | 72.59 | NumAromaticRings: | 2 |
