Glycoside
GD129397
Name:
Orientin 7-O-CaffeateFormula:
C30H26O14Smiles:
O=C(C=Cc1ccc(O)c(O)c1)Oc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1C1OC(CO)C(O)C(O)C1OAglycone:
O=C(C=Cc1ccc(O)c(O)c1)Oc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.2 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 610.52 | Num_heavy_atoms: | 44 |
| TPSA: | 247.81 | NumAromaticRings: | 4 |
Unique Aglycone
AD52420
Formula: C24H16O9
Smiles:
O=C(C=Cc1ccc(O)c(O)c1)Oc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 448.38 | Num_heavy_atoms: | 33 |
| TPSA: | 157.66 | NumAromaticRings: | 4 |
