Glycoside
GD098648
Name:
NoneFormula:
C22H32O9N2Smiles:
COc1ccc(CN2C[C@H](C(=O)NCCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)CC2=O)c(OC)c1Aglycone:
COc1ccc(CN2CC(C(=O)NCCO)CC2=O)c(OC)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 9 |
| MolWt: | 468.5 | Num_heavy_atoms: | 33 |
| TPSA: | 147.02 | NumAromaticRings: | 1 |
Unique Aglycone
AD41959
Formula: C16H22O5N2
Smiles:
COc1ccc(CN2CC(C(=O)NCCO)CC2=O)c(OC)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 322.36 | Num_heavy_atoms: | 23 |
| TPSA: | 88.1 | NumAromaticRings: | 1 |
