Glycoside
...
GD115989

Name:
None

Formula:
C42H43O13N4

Smiles:
NC1=C[CH+]C(CCOc2ccc(C3C=C(O)c4c(cc(OC5OC(C(=O)O)C(O)(CC6=NC=NC6)C(O)C5O)c(OC5(c6cccc(O)c6)CCCC5)c4O)O3)cc2)=N1

Aglycone:
CC1=NC=NC1.NC1=C[CH+]C(CCOc2ccc(C3C=C(O)c4c(cc(O)c(OC5(c6cccc(O)c6)CCCC5)c4O)O3)cc2)=N1

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

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 9 FractionCSP3: 0.36
AlogP: 3.72 Num_rotatable_bonds: 13
MolWt: 811.82 Num_heavy_atoms: 59
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
AD45985
Formula: C32H31O7N2

Smiles:
NC1=C[CH+]C(CCOc2ccc(C3C=C(O)c4c(cc(O)c(OC5(c6cccc(O)c6)CCCC5)c4O)O3)cc2)=N1
HBA: 9 RingCount: 6
HBD: 6 FractionCSP3: 0.25
AlogP: 5.91 Num_rotatable_bonds: 8
MolWt: 555.61 Num_heavy_atoms: 41
TPSA: 146.99 NumAromaticRings: 3

Sugarmoiety
SD04330

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