Glycoside
...
GD138985

Name:
None

Formula:
C36H42O13N2

Smiles:
O=C1[CH-]C(c2ccc(OC3CCCC3)cc2)Oc2cc(OC3OC(C(=O)O)C(O)(CC4=NC=[NH+]C4)C(O)C3O)c(OC3(O)CCCCC3)c(O)c21

Aglycone:
CC1=NC=[NH+]C1.O=C1[CH-]C(c2ccc(OC3CCCC3)cc2)Oc2cc(O)c(OC3(O)CCCCC3)c(O)c21

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

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 7 FractionCSP3: 0.53
AlogP: 0.86 Num_rotatable_bonds: 10
MolWt: 710.73 Num_heavy_atoms: 51
TPSA: 228.0 NumAromaticRings: 2

Unique Aglycone
AD50817
Formula: C4H7N2

Smiles:
CC1=NC=[NH+]C1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.5
AlogP: -1.43 Num_rotatable_bonds: 0
MolWt: 83.11 Num_heavy_atoms: 6
TPSA: 26.33 NumAromaticRings: 0
AD56062
Formula: C26H29O7

Smiles:
O=C1[CH-]C(c2ccc(OC3CCCC3)cc2)Oc2cc(O)c(OC3(O)CCCCC3)c(O)c21
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.46
AlogP: 4.97 Num_rotatable_bonds: 5
MolWt: 453.51 Num_heavy_atoms: 33
TPSA: 105.45 NumAromaticRings: 2

Sugarmoiety
SD04330

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