Glycoside
...
GD155611

Name:
None

Formula:
C32H36O14N4

Smiles:
Nc1ccc(C(O)COc2ccc(-c3cc(=O)c4c(O)c(OCO)c(OC5OC(C(=O)O)C(O)(CC6CNCN6)C(O)C5O)cc4o3)cc2)[nH]1

Aglycone:
CC1CNCN1.Nc1ccc(C(O)COc2ccc(-c3cc(=O)c4c(O)c(OCO)c(O)cc4o3)cc2)[nH]1

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

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 12 FractionCSP3: 0.38
AlogP: -0.93 Num_rotatable_bonds: 12
MolWt: 700.65 Num_heavy_atoms: 50
TPSA: 291.68 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
AD61713
Formula: C22H20O8N2

Smiles:
Nc1ccc(C(O)COc2ccc(-c3cc(=O)c4c(O)c(OCO)c(O)cc4o3)cc2)[nH]1
HBA: 10 RingCount: 4
HBD: 7 FractionCSP3: 0.14
AlogP: 2.22 Num_rotatable_bonds: 7
MolWt: 440.41 Num_heavy_atoms: 32
TPSA: 171.4 NumAromaticRings: 4

Sugarmoiety
SD04330

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