Glycoside
GD037439
Name:
NoneFormula:
C65H108O10N4Smiles:
CCCCCCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCC)[C@H](Cn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21)OC(=O)CCCCCCCCCCCAglycone:
CCCCCCCCCCCC=O.CCCCCCCCCCCC=O.CCCCCCCCCCCC=O.CCCCCCCCCCCC=O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1CSugarmoiety:
OOCC(OO)C(OO)C(O)OOOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.78 |
| AlogP: | 16.16 | Num_rotatable_bonds: | 49 |
| MolWt: | 1105.6 | Num_heavy_atoms: | 79 |
| TPSA: | 185.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD07263
Formula: C13H12O2N4
Smiles:
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1C| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 80.64 | NumAromaticRings: | 1 |
AD20817
Formula: C12H24O
Smiles:
CCCCCCCCCCCC=O| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.92 |
| AlogP: | 4.11 | Num_rotatable_bonds: | 10 |
| MolWt: | 184.32 | Num_heavy_atoms: | 13 |
| TPSA: | 17.07 | NumAromaticRings: | 0 |
