Glycoside
GD075453
Name:
NoneFormula:
C18H26O7N2Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2c[nH]c3c(c2=O)CCCC3)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1c[nH]c2c(c1=O)CCCC2Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 382.41 | Num_heavy_atoms: | 27 |
| TPSA: | 141.11 | NumAromaticRings: | 1 |
Unique Aglycone
AD34958
Formula: C12H16O3N2
Smiles:
O=C(NCCO)c1c[nH]c2c(c1=O)CCCC2| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 236.27 | Num_heavy_atoms: | 17 |
| TPSA: | 82.19 | NumAromaticRings: | 1 |
