Glycoside
...
GD125153

Name:
None

Formula:
C34H43O13N3

Smiles:
CNCCOc1ccc(-c2cc(=O)c3c(O)c(OC4(O)CCCCC4)c(OC4OC(C(=O)O)C(O)(CC5CNCN5)C(O)C4O)cc3o2)cc1

Aglycone:
CC1CNCN1.CNCCOc1ccc(-c2cc(=O)c3c(O)c(OC4(O)CCCCC4)c(O)cc3o2)cc1

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

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 9 FractionCSP3: 0.53
AlogP: 0.35 Num_rotatable_bonds: 12
MolWt: 701.73 Num_heavy_atoms: 50
TPSA: 241.67 NumAromaticRings: 3

Unique Aglycone
AD45423
Formula: C4H10N2

Smiles:
CC1CNCN1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 1.0
AlogP: -0.47 Num_rotatable_bonds: 0
MolWt: 86.14 Num_heavy_atoms: 6
TPSA: 24.06 NumAromaticRings: 0
AD50608
Formula: C24H27O7N

Smiles:
CNCCOc1ccc(-c2cc(=O)c3c(O)c(OC4(O)CCCCC4)c(O)cc3o2)cc1
HBA: 8 RingCount: 4
HBD: 4 FractionCSP3: 0.38
AlogP: 3.5 Num_rotatable_bonds: 7
MolWt: 441.48 Num_heavy_atoms: 32
TPSA: 121.39 NumAromaticRings: 3

Sugarmoiety
SD04330

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