Glycoside
...
GD122027

Name:
None

Formula:
C32H36O12N4

Smiles:
COc1c(OC2OC(C(=O)O)C(O)(CC3CNCN3)C(O)C2O)cc2oc(-c3ccc(OCCc4ccc(N)[nH]4)cc3)cc(=O)c2c1O

Aglycone:
CC1CNCN1.COc1c(O)cc2oc(-c3ccc(OCCc4ccc(N)[nH]4)cc3)cc(=O)c2c1O

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

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 10 FractionCSP3: 0.38
AlogP: 0.26 Num_rotatable_bonds: 11
MolWt: 668.66 Num_heavy_atoms: 48
TPSA: 251.22 NumAromaticRings: 4

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
AD49150
Formula: C22H20O6N2

Smiles:
COc1c(O)cc2oc(-c3ccc(OCCc4ccc(N)[nH]4)cc3)cc(=O)c2c1O
HBA: 8 RingCount: 4
HBD: 5 FractionCSP3: 0.14
AlogP: 3.41 Num_rotatable_bonds: 6
MolWt: 408.41 Num_heavy_atoms: 30
TPSA: 130.94 NumAromaticRings: 4

Sugarmoiety
SD04330

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