Glycoside
GD027556
Name:
NoneFormula:
C23H27O7N4BrSmiles:
COc1ccc(CCNC(=O)Nc2ccc3[nH]c([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nc3c2)cc1BrAglycone:
COc1ccc(CCNC(=O)Nc2ccc3[nH]cnc3c2)cc1BrSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 551.39 | Num_heavy_atoms: | 35 |
| TPSA: | 169.19 | NumAromaticRings: | 3 |
Unique Aglycone
AD18101
Formula: C17H17O2N4Br
Smiles:
COc1ccc(CCNC(=O)Nc2ccc3[nH]cnc3c2)cc1Br| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.18 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 389.25 | Num_heavy_atoms: | 24 |
| TPSA: | 79.04 | NumAromaticRings: | 3 |
