Glycoside
GD017186
Name:
NoneFormula:
C34H60O13N5PSmiles:
CCCCCCCCCCCCCCCCOP(=O)(OCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-]Aglycone:
CCCCCCCCCCCCCCCCOP(=O)(OCCO)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-]Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | 4.27 | Num_rotatable_bonds: | 27 |
| MolWt: | 777.85 | Num_heavy_atoms: | 53 |
| TPSA: | 256.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD12297
Formula: C28H50O8N5P
Smiles:
CCCCCCCCCCCCCCCCOP(=O)(OCCO)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-]| HBA: | 13 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 6.44 | Num_rotatable_bonds: | 24 |
| MolWt: | 615.71 | Num_heavy_atoms: | 42 |
| TPSA: | 177.84 | NumAromaticRings: | 1 |
