Glycoside
...
GD123273

Name:
None

Formula:
C27H30O13N2

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

Aglycone:
CC1CNCN1.COc1ccc(-c2cc(=O)c3c(O)c(OCO)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: 0.41
AlogP: -0.95 Num_rotatable_bonds: 9
MolWt: 590.54 Num_heavy_atoms: 42
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
AD49726
Formula: C17H14O7

Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OCO)c(O)cc3o2)cc1
HBA: 7 RingCount: 3
HBD: 3 FractionCSP3: 0.12
AlogP: 2.21 Num_rotatable_bonds: 4
MolWt: 330.29 Num_heavy_atoms: 24
TPSA: 109.36 NumAromaticRings: 3

Sugarmoiety
SD04330

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