Glycoside
GD021429
Name:
NoneFormula:
C21H25O11N2PSmiles:
CC=CC1=CN2C(=O)c3cc(OC4O[C@H](COP(=O)(O)O)[C@H](O)[C@H]4O)c(O)c(OC)c3N=C[C@H]2C1Aglycone:
CC=CC1=CN2C(=O)c3cc(O)c(O)c(OC)c3N=CC2C1.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 7 |
| MolWt: | 512.41 | Num_heavy_atoms: | 35 |
| TPSA: | 187.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD14658
Formula: C16H16O4N2
Smiles:
CC=CC1=CN2C(=O)c3cc(O)c(O)c(OC)c3N=CC2C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.31 | Num_heavy_atoms: | 22 |
| TPSA: | 82.36 | NumAromaticRings: | 1 |
