Glycoside
GD079603
Name:
NoneFormula:
C20H31O7N2Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1ccc(C[NH+]2CCC(O)C2)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -2.59 | Num_rotatable_bonds: | 7 |
| MolWt: | 411.48 | Num_heavy_atoms: | 29 |
| TPSA: | 132.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD36380
Formula: C14H21O3N2
Smiles:
O=C(NCCO)c1ccc(C[NH+]2CCC(O)C2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 265.33 | Num_heavy_atoms: | 19 |
| TPSA: | 74.0 | NumAromaticRings: | 1 |
