Glycoside
...
GD153472

Name:
None

Formula:
C44H50O13N4

Smiles:
CCc1cc(O)cc(C2(Oc3c(OC4OC(C(=O)O)C(O)(CC5CNCN5)C(O)C4O)cc4oc(-c5ccc(OCCc6ccc(N)[nH]6)cc5)cc(=O)c4c3O)CCCC2)c1

Aglycone:
CC1CNCN1.CCc1cc(O)cc(C2(Oc3c(O)cc4oc(-c5ccc(OCCc6ccc(N)[nH]6)cc5)cc(=O)c4c3O)CCCC2)c1

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

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 11 FractionCSP3: 0.41
AlogP: 3.36 Num_rotatable_bonds: 14
MolWt: 842.9 Num_heavy_atoms: 61
TPSA: 271.45 NumAromaticRings: 5

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
AD61038
Formula: C34H34O7N2

Smiles:
CCc1cc(O)cc(C2(Oc3c(O)cc4oc(-c5ccc(OCCc6ccc(N)[nH]6)cc5)cc(=O)c4c3O)CCCC2)c1
HBA: 9 RingCount: 6
HBD: 6 FractionCSP3: 0.26
AlogP: 6.52 Num_rotatable_bonds: 9
MolWt: 582.65 Num_heavy_atoms: 43
TPSA: 151.17 NumAromaticRings: 5

Sugarmoiety
SD04330

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