Glycoside
GD082011
Name:
NoneFormula:
C18H29O6N5Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)CN2CCN(c3ncccn3)CC2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(CN1CCN(c2ncccn2)CC1)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | -2.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 411.46 | Num_heavy_atoms: | 29 |
| TPSA: | 140.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD36823
Formula: C12H19O2N5
Smiles:
O=C(CN1CCN(c2ncccn2)CC1)NCCO| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.58 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 265.32 | Num_heavy_atoms: | 19 |
| TPSA: | 81.59 | NumAromaticRings: | 1 |
