Glycoside
GD021782
Name:
NoneFormula:
C46H51O16NSmiles:
COc1cc(C#Cc2ccc(C#Cc3cc(OC)c(C#CCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3OC)c(N(C)C)c2)c(OC)cc1C#CCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C#Cc2ccc(C#Cc3cc(OC)c(C#CCO)cc3OC)c(N(C)C)c2)c(OC)cc1C#CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.43 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 11 |
| MolWt: | 873.91 | Num_heavy_atoms: | 63 |
| TPSA: | 238.92 | NumAromaticRings: | 3 |
Unique Aglycone
AD14835
Formula: C34H31O6N
Smiles:
COc1cc(C#Cc2ccc(C#Cc3cc(OC)c(C#CCO)cc3OC)c(N(C)C)c2)c(OC)cc1C#CCO| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 549.62 | Num_heavy_atoms: | 41 |
| TPSA: | 80.62 | NumAromaticRings: | 3 |
