Glycoside
GD033851
Name:
NoneFormula:
C57H46O16Smiles:
O=C(OC[C@@H]1O[C@H](O[C@@H]2OC=C[C@@H]3[C@H](OC(=O)c4ccccc4)[C@@H]4O[C@@]4(COC(=O)c4ccccc4)[C@H]23)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1Aglycone:
COC(=O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(OCC12OC1C(OC(=O)c1ccccc1)C1C=COC(O)C12)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 10 |
| HBD: | 0 | FractionCSP3: | 0.23 |
| AlogP: | 7.6 | Num_rotatable_bonds: | 16 |
| MolWt: | 986.98 | Num_heavy_atoms: | 73 |
| TPSA: | 198.02 | NumAromaticRings: | 6 |
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 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD07971
Formula: C23H20O7
Smiles:
O=C(OCC12OC1C(OC(=O)c1ccccc1)C1C=COC(O)C12)c1ccccc1| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 408.41 | Num_heavy_atoms: | 30 |
| TPSA: | 94.59 | NumAromaticRings: | 2 |
