Glycoside
GD012370
Name:
NoneFormula:
C18H29O17N3P2Smiles:
COCC1OC(OP(=O)(O)OP(=O)(O)OC[C@@H]2OC(n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)C(NC(C)=O)C(O)C1OAglycone:
COP(=O)(O)OP(=O)(O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
COCC1OOC(NC(C)=O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.72 |
| AlogP: | -4.0 | Num_rotatable_bonds: | 11 |
| MolWt: | 621.38 | Num_heavy_atoms: | 40 |
| TPSA: | 294.86 | NumAromaticRings: | 1 |
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 |
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 |
