Glycoside
GD018592
Name:
NoneFormula:
C40H43O19NSmiles:
COc1cc(C=CC(=O)O[C@H]2[C@H](OC[C@@H]3O[C@H](Oc4cc5c(cc4O)C[C@H](C(=O)O)N5C(=O)C=Cc4ccc(O)cc4)[C@H](O)[C@H](O)[C@H]3O)O[C@@H](CO)[C@@H](O)[C@H]2O)ccc1OAglycone:
COc1cc(C=CC(=O)O)ccc1O.O=C(O)C1Cc2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.38 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 13 |
| MolWt: | 841.77 | Num_heavy_atoms: | 60 |
| TPSA: | 312.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD03435
Formula: C18H15O6N
Smiles:
O=C(O)C1Cc2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.11 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 341.32 | Num_heavy_atoms: | 25 |
| TPSA: | 118.3 | NumAromaticRings: | 2 |
