Glycoside
GD000269
Name:
NoneFormula:
C26H36O12N7PSSmiles:
CO[C@@H]1[C@H](OP(=O)(OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)C[C@H]2O)SCOC(=O)C(C)(C)C)[C@H](CO)O[C@H]1n1ccc(=O)[nH]c1=OAglycone:
CC(C)(C)C(=O)OCSP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)CC1O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 12 |
| MolWt: | 701.65 | Num_heavy_atoms: | 47 |
| TPSA: | 254.46 | NumAromaticRings: | 3 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD00314
Formula: C16H24O7N5PS
Smiles:
CC(C)(C)C(=O)OCSP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)CC1O| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 461.44 | Num_heavy_atoms: | 30 |
| TPSA: | 171.91 | NumAromaticRings: | 2 |
