Glycoside
GD137312
Name:
Picramnioside FFormula:
C33H34O15Smiles:
Cc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(c1)C(C1OC(OC(=O)c3ccccc3)C(O)C(O)C1O)c1cc(O)cc(O)c1C2=OAglycone:
Cc1cc(O)c2c(c1)Cc1cc(O)cc(O)c1C2=O.O=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.39 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 670.62 | Num_heavy_atoms: | 48 |
| TPSA: | 253.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00211
Formula: C15H12O4
Smiles:
Cc1cc(O)c2c(c1)Cc1cc(O)cc(O)c1C2=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
