Glycoside
...
GD000404

Name:
None

Formula:
C29H51O12N3P2Cl

Smiles:
CCCCCCCCCCCCCCCCOCC(CCl)OP(=O)([O-])OP(=O)(O)OCC1OC(n2ccc(N)nc2=O)C(O)C1O

Aglycone:
CCCCCCCCCCCCCCCCOCC(CCl)OP(=O)([O-])OP(=O)(O)OC.Nc1cc[nH]c(=O)n1

Sugarmoiety:
OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 2
HBD: 5 FractionCSP3: 0.86
AlogP: 4.17 Num_rotatable_bonds: 26
MolWt: 719.13 Num_heavy_atoms: 46
TPSA: 224.95 NumAromaticRings: 1

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
AD00454
Formula: C21H42O8P2Cl

Smiles:
CCCCCCCCCCCCCCCCOCC(CCl)OP(=O)([O-])OP(=O)(O)OC
HBA: 8 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: 6.34 Num_rotatable_bonds: 23
MolWt: 507.95 Num_heavy_atoms: 31
TPSA: 114.35 NumAromaticRings: 0

Sugarmoiety
SD00018

OC1OC(O)C(O)C1O