Glycoside
GD000885
Name:
NoneFormula:
C32H56O12N5PSmiles:
CCCCCCCCCCCCCCCCOP(=O)(OC[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O)OC[C@@H]1OC(n2cc(C)c(=O)[nH]c2=O)C[C@H]1N=[N+]=[N-]Aglycone:
CCCCCCCCCCCCCCCCOP(=O)(OC)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-]Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | 4.25 | Num_rotatable_bonds: | 24 |
| MolWt: | 733.8 | Num_heavy_atoms: | 50 |
| TPSA: | 247.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD00927
Formula: C27H48O7N5P
Smiles:
CCCCCCCCCCCCCCCCOP(=O)(OC)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-]| HBA: | 12 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 7.08 | Num_rotatable_bonds: | 22 |
| MolWt: | 585.68 | Num_heavy_atoms: | 40 |
| TPSA: | 157.61 | NumAromaticRings: | 1 |
