Glycoside
...
GD115608

Name:
None

Formula:
C32H38O13N2

Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC4(O)CCCCC4)c(OC4OC(C(=O)O)C(O)(CC5CNCN5)C(O)C4O)cc3o2)cc1

Aglycone:
CC1CNCN1.COc1ccc(-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: 15 RingCount: 6
HBD: 8 FractionCSP3: 0.5
AlogP: 0.76 Num_rotatable_bonds: 9
MolWt: 658.66 Num_heavy_atoms: 47
TPSA: 229.64 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
AD45764
Formula: C22H22O7

Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC4(O)CCCCC4)c(O)cc3o2)cc1
HBA: 7 RingCount: 4
HBD: 3 FractionCSP3: 0.32
AlogP: 3.91 Num_rotatable_bonds: 4
MolWt: 398.41 Num_heavy_atoms: 29
TPSA: 109.36 NumAromaticRings: 3

Sugarmoiety
SD04330

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