Glycoside
GD029958
Name:
NoneFormula:
C22H31O12NSmiles:
CC(=Cc1ccc(O[C@@H]2O[C@H](C(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](O)[C@H](O)[C@H]1OAglycone:
CC(=Cc1ccc(O)c(O)c1)C(=O)NC1C(O)C(O)C(O)C(O)C1OSugarmoiety:
CC(O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.59 |
| AlogP: | -3.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 501.49 | Num_heavy_atoms: | 35 |
| TPSA: | 229.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD16090
Formula: C16H21O8N
Smiles:
CC(=Cc1ccc(O)c(O)c1)C(=O)NC1C(O)C(O)C(O)C(O)C1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -2.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 355.34 | Num_heavy_atoms: | 25 |
| TPSA: | 170.71 | NumAromaticRings: | 1 |
