Glycoside
GD019325
Name:
NoneFormula:
C25H30O10N3PSmiles:
CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)Oc1cccc2ccccc12Aglycone:
COP(=O)(NC(C)C(=O)OC(C)C)Oc1cccc2ccccc12.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 10 |
| MolWt: | 563.5 | Num_heavy_atoms: | 39 |
| TPSA: | 178.41 | 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 |
AD13505
Formula: C17H22O5NP
Smiles:
COP(=O)(NC(C)C(=O)OC(C)C)Oc1cccc2ccccc12| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 3.9 | Num_rotatable_bonds: | 7 |
| MolWt: | 351.34 | Num_heavy_atoms: | 24 |
| TPSA: | 73.86 | NumAromaticRings: | 2 |
