Glycoside
GD015772
Name:
NoneFormula:
C19H28O8N6Smiles:
Cc1cn(C2O[C@H](C(=O)NCCN(N=O)C(=O)NC3CCCCC3)[C@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
Cc1c[nH]c(=O)[nH]c1=O.O=CNCCN(N=O)C(=O)NC1CCCCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 468.47 | Num_heavy_atoms: | 33 |
| TPSA: | 195.42 | NumAromaticRings: | 1 |
Unique Aglycone
AD00276
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD11423
Formula: C10H18O3N4
Smiles:
O=CNCCN(N=O)C(=O)NC1CCCCC1| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 242.28 | Num_heavy_atoms: | 17 |
| TPSA: | 90.87 | NumAromaticRings: | 0 |
