Glycoside
GD082361
Name:
NoneFormula:
C18H27O8N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cnc(OC3CCOCC3)nc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1cnc(OC2CCOCC2)nc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 413.43 | Num_heavy_atoms: | 29 |
| TPSA: | 152.49 | NumAromaticRings: | 1 |
Unique Aglycone
AD37006
Formula: C12H17O4N3
Smiles:
O=C(NCCO)c1cnc(OC2CCOCC2)nc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.58 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 267.28 | Num_heavy_atoms: | 19 |
| TPSA: | 93.57 | NumAromaticRings: | 1 |
