Glycoside
GD037117
Name:
NoneFormula:
C35H62O9N5PSmiles:
CCCCCCCCCCCCCCOP(=O)(CCN(CCCN)CCCN)OC[C@@H]1O[C@H](n2cc(-c3ccco3)c(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCCCOP(=O)(CCN(CCCN)CCCN)OC.O=c1[nH]cc(-c2ccco2)c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.77 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 28 |
| MolWt: | 727.88 | Num_heavy_atoms: | 50 |
| TPSA: | 208.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD03109
Formula: C23H52O3N3P
Smiles:
CCCCCCCCCCCCCCOP(=O)(CCN(CCCN)CCCN)OC| HBA: | 6 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 5.54 | Num_rotatable_bonds: | 24 |
| MolWt: | 449.66 | Num_heavy_atoms: | 30 |
| TPSA: | 90.81 | NumAromaticRings: | 0 |
AD16375
Formula: C8H6O3N2
Smiles:
O=c1[nH]cc(-c2ccco2)c(=O)[nH]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.15 | Num_heavy_atoms: | 13 |
| TPSA: | 78.86 | NumAromaticRings: | 2 |
