Glycoside
GD003801
Name:
NoneFormula:
C26H43O18N8P3SSmiles:
CC(=O)N[C@H](CCCCNC(=O)CSCCNC(=O)[C@H](O)CCOP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2cnc3cncnc32)[C@H](O)[C@H]1OP(=O)(O)O)C(N)=OAglycone:
C1=Nc2cncnc2[N]1.COP(=O)(O)OP(=O)(O)OCCC(O)C(=O)NCCSCC(=O)NCCCCC(NC(C)=O)C(N)=O.O=P(O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.65 |
| AlogP: | -2.31 | Num_rotatable_bonds: | 25 |
| MolWt: | 880.66 | Num_heavy_atoms: | 56 |
| TPSA: | 392.73 | NumAromaticRings: | 2 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD01776
Formula: C5H3N4
Smiles:
C1=Nc2cncnc2[N]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 119.11 | Num_heavy_atoms: | 9 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
AD03403
Formula: C17H34O12N4P2S
Smiles:
COP(=O)(O)OP(=O)(O)OCCC(O)C(=O)NCCSCC(=O)NCCCCC(NC(C)=O)C(N)=O| HBA: | 16 | RingCount: | 0 |
| HBD: | 8 | FractionCSP3: | 0.76 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 20 |
| MolWt: | 580.49 | Num_heavy_atoms: | 36 |
| TPSA: | 252.91 | NumAromaticRings: | 0 |
