Glycoside
...
GD131042

Name:
None

Formula:
C43H48O13N4

Smiles:
Nc1ccc(CCOc2ccc(-c3cc(=O)c4c(O)c(OCc5cccc(O)c5)c(OC5OC(C(=O)O)C(O)(C6(C7CNCN7)CCCCC6)C(O)C5O)cc4o3)cc2)[nH]1

Aglycone:
C1CCC(C2CNCN2)CC1.Nc1ccc(CCOc2ccc(-c3cc(=O)c4c(O)c(OCc5cccc(O)c5)c(O)cc4o3)cc2)[nH]1

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

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 11 FractionCSP3: 0.4
AlogP: 3.09 Num_rotatable_bonds: 13
MolWt: 828.87 Num_heavy_atoms: 60
TPSA: 271.45 NumAromaticRings: 5

Unique Aglycone
AD44935
Formula: C28H24O7N2

Smiles:
Nc1ccc(CCOc2ccc(-c3cc(=O)c4c(O)c(OCc5cccc(O)c5)c(O)cc4o3)cc2)[nH]1
HBA: 9 RingCount: 5
HBD: 6 FractionCSP3: 0.11
AlogP: 4.69 Num_rotatable_bonds: 8
MolWt: 500.51 Num_heavy_atoms: 37
TPSA: 151.17 NumAromaticRings: 5
AD45346
Formula: C9H18N2

Smiles:
C1CCC(C2CNCN2)CC1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 1.0
AlogP: 1.09 Num_rotatable_bonds: 1
MolWt: 154.26 Num_heavy_atoms: 11
TPSA: 24.06 NumAromaticRings: 0

Sugarmoiety
SD04330

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