Glycoside
GD119379
Name:
Okanin 4-Methyl Ether 4'-O-(2''-O-Caffeoyl-6''-O-Acetylglucoside)Formula:
C33H32O15Smiles:
COc1ccc(C=CC(=O)c2ccc(OC3OC(COC(C)=O)C(O)C(O)C3OC(=O)C=Cc3ccc(O)c(O)c3)c(O)c2O)cc1OAglycone:
COC(C)=O.COc1ccc(C=CC(=O)c2ccc(O)c(O)c2O)cc1O.O=C(O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.24 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 11 |
| MolWt: | 668.6 | Num_heavy_atoms: | 48 |
| TPSA: | 238.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD21954
Formula: C16H14O6
Smiles:
COc1ccc(C=CC(=O)c2ccc(O)c(O)c2O)cc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
