Glycoside
...
GD144703

Name:
None

Formula:
C29H35O12N3

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

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

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

Other Identifiers

Properties
HBA: 15 RingCount: 5
HBD: 8 FractionCSP3: 0.45
AlogP: -0.68 Num_rotatable_bonds: 11
MolWt: 617.61 Num_heavy_atoms: 44
TPSA: 221.44 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
AD55634
Formula: C19H19O6N

Smiles:
CNCCOc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1
HBA: 7 RingCount: 3
HBD: 3 FractionCSP3: 0.21
AlogP: 2.48 Num_rotatable_bonds: 6
MolWt: 357.36 Num_heavy_atoms: 26
TPSA: 101.16 NumAromaticRings: 3

Sugarmoiety
SD04330

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