Glycoside
GD146303
Name:
Orbiocrellin AFormula:
C25H33O10NSmiles:
COC1C(CO)OC(Oc2ccc(-c3cn(O)c(=O)c(C4OC(C)CCC4C)c3O)cc2)C(O)C1OAglycone:
CC1CCC(C)C(c2c(O)c(-c3ccc(O)cc3)cn(O)c2=O)O1Sugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 507.54 | Num_heavy_atoms: | 36 |
| TPSA: | 160.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD58680
Formula: C18H21O5N
Smiles:
CC1CCC(C)C(c2c(O)c(-c3ccc(O)cc3)cn(O)c2=O)O1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 331.37 | Num_heavy_atoms: | 24 |
| TPSA: | 91.92 | NumAromaticRings: | 2 |
