Glycoside
GD003358
Name:
NoneFormula:
C45H52O16Smiles:
O=C(O)Cc1cccc(-c2cc(CCCCCc3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c(-c4cccc(CC(=O)O)c4)c3)ccc2O[C@@H]2OC(CO)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
O=C(O)Cc1cccc(-c2cc(CCCCCc3ccc(O)c(-c4cccc(CC(=O)O)c4)c3)ccc2O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.42 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 18 |
| MolWt: | 848.9 | Num_heavy_atoms: | 61 |
| TPSA: | 273.36 | NumAromaticRings: | 4 |
Unique Aglycone
AD03056
Formula: C33H32O6
Smiles:
O=C(O)Cc1cccc(-c2cc(CCCCCc3ccc(O)c(-c4cccc(CC(=O)O)c4)c3)ccc2O)c1| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.21 |
| AlogP: | 6.64 | Num_rotatable_bonds: | 12 |
| MolWt: | 524.61 | Num_heavy_atoms: | 39 |
| TPSA: | 115.06 | NumAromaticRings: | 4 |
