Glycoside
...
GD151132

Name:
None

Formula:
C40H44O13N4

Smiles:
CCc1cc(O)cc(COc2c(OC3OC(C(=O)O)C(O)(CC4CNCN4)C(O)C3O)cc3oc(-c4ccc(OCCc5ccc(N)[nH]5)cc4)cc(=O)c3c2O)c1

Aglycone:
CC1CNCN1.CCc1cc(O)cc(COc2c(O)cc3oc(-c4ccc(OCCc5ccc(N)[nH]5)cc4)cc(=O)c3c2O)c1

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

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 11 FractionCSP3: 0.35
AlogP: 2.09 Num_rotatable_bonds: 14
MolWt: 788.81 Num_heavy_atoms: 57
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
AD59235
Formula: C30H28O7N2

Smiles:
CCc1cc(O)cc(COc2c(O)cc3oc(-c4ccc(OCCc5ccc(N)[nH]5)cc4)cc(=O)c3c2O)c1
HBA: 9 RingCount: 5
HBD: 6 FractionCSP3: 0.17
AlogP: 5.25 Num_rotatable_bonds: 9
MolWt: 528.56 Num_heavy_atoms: 39
TPSA: 151.17 NumAromaticRings: 5

Sugarmoiety
SD04330

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