Glycoside
GD023478
Name:
NoneFormula:
C13H23O12N3P2Smiles:
CC(C)(C)ON=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
CC(C)(C)ON=c1cc[nH]c(=O)[nH]1.COP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 475.28 | Num_heavy_atoms: | 30 |
| TPSA: | 222.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD15782
Formula: C8H13O2N3
Smiles:
CC(C)(C)ON=c1cc[nH]c(=O)[nH]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 183.21 | Num_heavy_atoms: | 13 |
| TPSA: | 70.24 | NumAromaticRings: | 1 |
