Glycoside
GD009111
Name:
PICRAMNIOSIDE GFormula:
C28H26O8Smiles:
Cc1cc(O)c2c(c1)[C@H](C[C@@H]1OC[C@H](OC(=O)c3ccccc3)[C@H](O)[C@H]1O)c1cccc(O)c1C2=OAglycone:
Cc1cc(O)c2c(c1)C(C)c1cccc(O)c1C2=O.O=C(O)c1ccccc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 490.51 | Num_heavy_atoms: | 36 |
| TPSA: | 133.52 | 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 |
AD07183
Formula: C16H14O3
Smiles:
Cc1cc(O)c2c(c1)C(C)c1cccc(O)c1C2=O| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 254.28 | Num_heavy_atoms: | 19 |
| TPSA: | 57.53 | NumAromaticRings: | 2 |
