Glycoside
GD135404
Name:
Em 2487Formula:
C32H57O16N5P2Smiles:
CC(C)CCCCCCCCCCCN(C)OP(=O)(O)N(CC(=N)O)P(=O)(O)OC1C(OCC2OC(n3ccc(O)nc3=O)C(O)C2O)=C(CO)C(O)C1OAglycone:
COC1=C(CO)C(O)C(O)C1OP(=O)(O)N(CC(=N)O)P(=O)(O)ON(C)CCCCCCCCCCCC(C)C.O=c1nc(O)cc[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.78 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 25 |
| MolWt: | 829.78 | Num_heavy_atoms: | 55 |
| TPSA: | 318.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD15478
Formula: C4H4O2N2
Smiles:
O=c1nc(O)cc[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
AD54751
Formula: C24H49O11N3P2
Smiles:
COC1=C(CO)C(O)C(O)C1OP(=O)(O)N(CC(=N)O)P(=O)(O)ON(C)CCCCCCCCCCCC(C)C| HBA: | 14 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 22 |
| MolWt: | 617.61 | Num_heavy_atoms: | 40 |
| TPSA: | 213.54 | NumAromaticRings: | 0 |
