Glycoside
...
GD148628

Name:
[(2-{3a,7-dihydroxy-9a,11a-dimethyl-5-oxo-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-6-hydroxy-6-methylheptan-3-yl)oxy]({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid

Formula:
C37H56O11N5P

Smiles:
CC(C(CCC(C)(C)O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CCC2(O)C3=CC(=O)C4CC(O)CCC4(C)C3CCC12C

Aglycone:
COP(=O)(O)OC(CCC(C)(C)O)C(C)C1CCC2(O)C3=CC(=O)C4CC(O)CCC4(C)C3CCC12C.Nc1ncnc2c1N=C[N]2

Sugarmoiety:
OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 8 FractionCSP3: 0.78
AlogP: 2.95 Num_rotatable_bonds: 11
MolWt: 777.85 Num_heavy_atoms: 54
TPSA: 252.83 NumAromaticRings: 2

Unique Aglycone
AD00058
Formula: C5H4N5

Smiles:
Nc1ncnc2c1N=C[N]2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: -0.03 Num_rotatable_bonds: 0
MolWt: 134.12 Num_heavy_atoms: 10
TPSA: 78.26 NumAromaticRings: 1
AD59461
Formula: C28H47O8P

Smiles:
COP(=O)(O)OC(CCC(C)(C)O)C(C)C1CCC2(O)C3=CC(=O)C4CC(O)CCC4(C)C3CCC12C
HBA: 8 RingCount: 4
HBD: 4 FractionCSP3: 0.89
AlogP: 4.54 Num_rotatable_bonds: 8
MolWt: 542.65 Num_heavy_atoms: 37
TPSA: 133.52 NumAromaticRings: 0

Sugarmoiety
SD00018

OC1OC(O)C(O)C1O