Glycoside
...
GD147980

Name:
None

Formula:
C45H52O13N4

Smiles:
CCc1cc(O)cc(COc2c(OC3OC(C(=O)O)C(O)(C4(C5CNCN5)CCCCC4)C(O)C3O)cc3oc(-c4ccc(OCCc5ccc(N)[nH]5)cc4)cc(=O)c3c2O)c1

Aglycone:
C1CCC(C2CNCN2)CC1.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: 8
HBD: 11 FractionCSP3: 0.42
AlogP: 3.66 Num_rotatable_bonds: 14
MolWt: 856.93 Num_heavy_atoms: 62
TPSA: 271.45 NumAromaticRings: 5

Unique Aglycone
AD45346
Formula: C9H18N2

Smiles:
C1CCC(C2CNCN2)CC1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 1.0
AlogP: 1.09 Num_rotatable_bonds: 1
MolWt: 154.26 Num_heavy_atoms: 11
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