Glycoside
GD005696
Name:
NoneFormula:
C23H30O12N3PSmiles:
COc1ccc(C(OC(=O)NC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)P(=O)(O)O)cc1OC1CCCC1Aglycone:
CNC(=O)OC(c1ccc(OC)c(OC2CCCC2)c1)P(=O)(O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 9 |
| MolWt: | 571.48 | Num_heavy_atoms: | 39 |
| TPSA: | 218.87 | NumAromaticRings: | 2 |
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 |
AD04799
Formula: C15H22O7NP
Smiles:
CNC(=O)OC(c1ccc(OC)c(OC2CCCC2)c1)P(=O)(O)O| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 359.31 | Num_heavy_atoms: | 24 |
| TPSA: | 114.32 | NumAromaticRings: | 1 |
