Glycoside
GD012801
Name:
3-OTETRAACETYLGLUCOPYRANOSYLKARANJONOLFormula:
C31H28O13Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2c(-c3ccccc3)oc3c(ccc4occc43)c2=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.O=c1c(O)c(-c2ccccc2)oc2c1ccc1occc12Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.32 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 608.55 | Num_heavy_atoms: | 44 |
| TPSA: | 167.01 | NumAromaticRings: | 4 |
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 |
AD09615
Formula: C17H10O4
Smiles:
O=c1c(O)c(-c2ccccc2)oc2c1ccc1occc12| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 278.26 | Num_heavy_atoms: | 21 |
| TPSA: | 63.58 | NumAromaticRings: | 4 |
