Glycoside
GD032291
Name:
VERDAMICINFormula:
C20H39O7N5Smiles:
CN[C@@H]1[C@H](O)[C@H](O[C@H]2[C@H](N)C[C@@H](N)[C@@H](O[C@@H]3OC(C(C)N)=CC[C@H]3N)[C@H]2O)OC[C@]1(C)OAglycone:
CC(N)C1=CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1Sugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.9 |
| AlogP: | -3.46 | Num_rotatable_bonds: | 6 |
| MolWt: | 461.56 | Num_heavy_atoms: | 32 |
| TPSA: | 213.72 | NumAromaticRings: | 0 |
Unique Aglycone
AD20719
Formula: C13H26O4N4
Smiles:
CC(N)C1=CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.85 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 302.38 | Num_heavy_atoms: | 21 |
| TPSA: | 163.0 | NumAromaticRings: | 0 |
