Glycoside
GD102197
Name:
NoneFormula:
C20H31O9N3Smiles:
COc1cc(C(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c(NC(=O)OC(C)(C)C)cn1Aglycone:
COc1cc(C(=O)NCCO)c(NC(=O)OC(C)(C)C)cn1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 457.48 | Num_heavy_atoms: | 32 |
| TPSA: | 168.7 | NumAromaticRings: | 1 |
Unique Aglycone
AD43249
Formula: C14H21O5N3
Smiles:
COc1cc(C(=O)NCCO)c(NC(=O)OC(C)(C)C)cn1| HBA: | 8 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 311.34 | Num_heavy_atoms: | 22 |
| TPSA: | 109.78 | NumAromaticRings: | 1 |
