Glycoside
GD088463
Name:
NoneFormula:
C16H23O7N2BrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)CCn2cc(Br)ccc2=O)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(CCn1cc(Br)ccc1=O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 435.27 | Num_heavy_atoms: | 26 |
| TPSA: | 130.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD38697
Formula: C10H13O3N2Br
Smiles:
O=C(CCn1cc(Br)ccc1=O)NCCO| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 289.13 | Num_heavy_atoms: | 16 |
| TPSA: | 71.33 | NumAromaticRings: | 1 |
