Glycoside
GD005733
Name:
NoneFormula:
C29H52O12N3P2ClSmiles:
CCCCCCCCCCCCCCCCOCC(CCl)OP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(N)nc2=O)C(O)C1OAglycone:
CCCCCCCCCCCCCCCCOCC(CCl)OP(=O)(O)OP(=O)(O)OC.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 4.8 | Num_rotatable_bonds: | 26 |
| MolWt: | 720.13 | Num_heavy_atoms: | 46 |
| TPSA: | 222.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD04829
Formula: C21H43O8P2Cl
Smiles:
CCCCCCCCCCCCCCCCOCC(CCl)OP(=O)(O)OP(=O)(O)OC| HBA: | 8 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 6.97 | Num_rotatable_bonds: | 23 |
| MolWt: | 508.96 | Num_heavy_atoms: | 31 |
| TPSA: | 111.52 | NumAromaticRings: | 0 |
