Glycoside
GD027400
Name:
NoneFormula:
C25H31O12NSmiles:
C#CCC(=Cc1ccc(O[C@@H]2O[C@H]([C@H](C)O)[C@H](O)[C@H]2O)c(O)c1)C(=O)N[C@@H]1[C@H](O)[C@H](O)[C@@H]2OCO[C@H]2[C@H]1OAglycone:
C#CCC(=Cc1ccc(O)c(O)c1)C(=O)NC1C(O)C(O)C2OCOC2C1OSugarmoiety:
CC(O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -2.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 537.52 | Num_heavy_atoms: | 38 |
| TPSA: | 207.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD18009
Formula: C19H21O8N
Smiles:
C#CCC(=Cc1ccc(O)c(O)c1)C(=O)NC1C(O)C(O)C2OCOC2C1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 391.38 | Num_heavy_atoms: | 28 |
| TPSA: | 148.71 | NumAromaticRings: | 1 |
