Glycoside
GD148159
Name:
Okanin 4'-(3'',4''-Diacetyl-6''-P-Coumarylglucoside)Formula:
C34H32O15Smiles:
CC(=O)OC1C(COC(=O)C=Cc2ccc(O)cc2)OC(Oc2ccc(C(=O)C=Cc3ccc(O)c(O)c3)c(O)c2O)C(O)C1OC(C)=OAglycone:
COC(=O)C=Cc1ccc(O)cc1.O=C(C=Cc1ccc(O)c(O)c1)c1ccc(O)c(O)c1OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 11 |
| MolWt: | 680.62 | Num_heavy_atoms: | 49 |
| TPSA: | 235.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD12625
Formula: C15H12O6
Smiles:
O=C(C=Cc1ccc(O)c(O)c1)c1ccc(O)c(O)c1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 118.22 | NumAromaticRings: | 2 |
