Glycoside
...
GD004755

Name:
None

Formula:
C31H38O9N5P

Smiles:
CC(C)C(=O)OC[C@H](Cc1c[nH]c2ccccc12)NP(=O)(OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@@](C)(O)[C@H]1O)Oc1ccccc1

Aglycone:
COP(=O)(NC(COC(=O)C(C)C)Cc1c[nH]c2ccccc12)Oc1ccccc1.Nc1cc[nH]c(=O)n1

Sugarmoiety:
CC1(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 6 FractionCSP3: 0.39
AlogP: 2.92 Num_rotatable_bonds: 13
MolWt: 655.65 Num_heavy_atoms: 46
TPSA: 200.25 NumAromaticRings: 4

Unique Aglycone
AD00115
Formula: C4H5ON3

Smiles:
Nc1cc[nH]c(=O)n1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 111.1 Num_heavy_atoms: 8
TPSA: 71.77 NumAromaticRings: 1
AD04110
Formula: C22H27O5N2P

Smiles:
COP(=O)(NC(COC(=O)C(C)C)Cc1c[nH]c2ccccc12)Oc1ccccc1
HBA: 7 RingCount: 3
HBD: 2 FractionCSP3: 0.32
AlogP: 4.7 Num_rotatable_bonds: 10
MolWt: 430.44 Num_heavy_atoms: 30
TPSA: 89.65 NumAromaticRings: 3

Sugarmoiety
SD00027

CC1(O)C(O)OC(O)C1O