Glycoside
...
GD117631

Name:
{[2-(aminomethyl)-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-4-yl]oxy}phosphonic acid

Formula:
C18H37O14N4P

Smiles:
NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(OP(=O)(O)O)C1O

Aglycone:
NC1CC(N)C(O)C(O)C1O.O=P(O)(O)O

Sugarmoiety:
NC1C(O)C(O)OC(CO)C1O.NCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 3
HBD: 16 FractionCSP3: 1.0
AlogP: -7.17 Num_rotatable_bonds: 8
MolWt: 564.48 Num_heavy_atoms: 37
TPSA: 329.14 NumAromaticRings: 0

Unique Aglycone
AD00009
Formula: C6H14O3N2

Smiles:
NC1CC(N)C(O)C(O)C1O
HBA: 5 RingCount: 1
HBD: 7 FractionCSP3: 1.0
AlogP: -2.87 Num_rotatable_bonds: 0
MolWt: 162.19 Num_heavy_atoms: 11
TPSA: 112.73 NumAromaticRings: 0
AD00019
Formula: H3O4P

Smiles:
O=P(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 0.0
AlogP: -0.93 Num_rotatable_bonds: 0
MolWt: 97.99 Num_heavy_atoms: 5
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD00116

NC1C(O)C(O)OC(CO)C1O.NCC1OC(O)C(O)C(O)C1O