Glycoside
GD023803
Name:
NoneFormula:
C16H20O12N3P2BrSmiles:
O=c1[nH]c(=NOCc2ccc(Br)cc2)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)O.O=c1[nH]ccc(=NOCc2ccc(Br)cc2)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 9 |
| MolWt: | 588.2 | Num_heavy_atoms: | 34 |
| TPSA: | 222.36 | NumAromaticRings: | 2 |
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 |
AD15978
Formula: C11H10O2N3Br
Smiles:
O=c1[nH]ccc(=NOCc2ccc(Br)cc2)[nH]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 296.12 | Num_heavy_atoms: | 17 |
| TPSA: | 70.24 | NumAromaticRings: | 2 |
