Glycoside
GD098666
Name:
NoneFormula:
C22H31O6N5Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cc(-c3cnc(N4CCCC4)nc3)cn2C)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
Cn1cc(-c2cnc(N3CCCC3)nc2)cc1C(=O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 461.52 | Num_heavy_atoms: | 33 |
| TPSA: | 142.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD41969
Formula: C16H21O2N5
Smiles:
Cn1cc(-c2cnc(N3CCCC3)nc2)cc1C(=O)NCCO| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 315.38 | Num_heavy_atoms: | 23 |
| TPSA: | 83.28 | NumAromaticRings: | 2 |
