Glycoside
GD018632
Name:
NoneFormula:
C11H17O8N2PSmiles:
Cc1cn([C@@H]2O[C@H](C)[C@H](OCP(=O)(O)O)[C@H]2O)c(=O)[nH]c1=OAglycone:
Cc1c[nH]c(=O)[nH]c1=O.O=P(O)(O)COSugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 336.24 | Num_heavy_atoms: | 22 |
| TPSA: | 151.08 | NumAromaticRings: | 1 |
Unique Aglycone
AD00276
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD03220
Formula: CH5O4P
Smiles:
O=P(O)(O)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
