Glycoside
...
GD114279

Name:
None

Formula:
C45H47O13N4

Smiles:
NC1=C[CH+]C(CCOc2ccc(C3C=C(O)c4c(cc(OC5OC(C(=O)O)C(O)(CC6=NC=NC6)C(O)C5O)c(OC56CCCC5CCCc5c(O)cccc56)c4O)O3)cc2)=N1

Aglycone:
CC1=NC=NC1.NC1=C[CH+]C(CCOc2ccc(C3C=C(O)c4c(cc(O)c(OC56CCCC5CCCc5c(O)cccc56)c4O)O3)cc2)=N1

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1(O)O

Other Identifiers

Properties
HBA: 17 RingCount: 9
HBD: 9 FractionCSP3: 0.4
AlogP: 4.28 Num_rotatable_bonds: 12
MolWt: 851.89 Num_heavy_atoms: 62
TPSA: 267.93 NumAromaticRings: 3

Unique Aglycone
AD44952
Formula: C4H6N2

Smiles:
CC1=NC=NC1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.5
AlogP: 0.49 Num_rotatable_bonds: 0
MolWt: 82.11 Num_heavy_atoms: 6
TPSA: 24.72 NumAromaticRings: 0
AD44953
Formula: C35H35O7N2

Smiles:
NC1=C[CH+]C(CCOc2ccc(C3C=C(O)c4c(cc(O)c(OC56CCCC5CCCc5c(O)cccc56)c4O)O3)cc2)=N1
HBA: 9 RingCount: 7
HBD: 6 FractionCSP3: 0.31
AlogP: 6.47 Num_rotatable_bonds: 7
MolWt: 595.67 Num_heavy_atoms: 44
TPSA: 146.99 NumAromaticRings: 3

Sugarmoiety
SD04330

O=C(O)C1OC(O)C(O)C(O)C1(O)O