Glycoside
GD008229
Name:
ETHOXAZORUTOSIDEFormula:
C33H41O17NSmiles:
C[C@@H]1O[C@H](OC[C@@H]2O[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(OCCN5CCOCC5)cc(O)c4c3=O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(OCCN3CCOCC3)cc(O)c12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.55 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 10 |
| MolWt: | 723.68 | Num_heavy_atoms: | 51 |
| TPSA: | 270.9 | NumAromaticRings: | 3 |
Unique Aglycone
AD06597
Formula: C21H21O8N
Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(OCCN3CCOCC3)cc(O)c12| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 415.4 | Num_heavy_atoms: | 30 |
| TPSA: | 132.83 | NumAromaticRings: | 3 |
