Glycoside
GD007698
Name:
NoneFormula:
C30H35O15N6PSSmiles:
Nc1nc(O)c2cc(CN(C(=O)CSCC(=O)NC3O[C@H](COP(=O)(O)O)[C@H](O)[C@H]3O)c3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc3)ccc2n1Aglycone:
COP(=O)(O)O.NC(=O)CSCC(=O)N(Cc1ccc2nc(N)nc(O)c2c1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.37 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 17 |
| MolWt: | 782.68 | Num_heavy_atoms: | 53 |
| TPSA: | 341.59 | NumAromaticRings: | 3 |
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 |
AD06240
Formula: C25H26O8N6S
Smiles:
NC(=O)CSCC(=O)N(Cc1ccc2nc(N)nc(O)c2c1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.24 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 13 |
| MolWt: | 570.58 | Num_heavy_atoms: | 40 |
| TPSA: | 239.13 | NumAromaticRings: | 3 |
