Glycoside
...
GD143937

Name:
None

Formula:
C31H34O12N2

Smiles:
COc1c(OC2OC(C(=O)O)C(O)(CC3=NC=[NH+]C3)C(O)C2O)cc2c(c1O)C(=O)[CH-]C(c1ccc(OC3CCCC3)cc1)O2

Aglycone:
CC1=NC=[NH+]C1.COc1c(O)cc2c(c1O)C(=O)[CH-]C(c1ccc(OC3CCCC3)cc1)O2

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

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 6 FractionCSP3: 0.45
AlogP: -0.16 Num_rotatable_bonds: 9
MolWt: 626.62 Num_heavy_atoms: 45
TPSA: 207.77 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
AD57872
Formula: C21H21O6

Smiles:
COc1c(O)cc2c(c1O)C(=O)[CH-]C(c1ccc(OC3CCCC3)cc1)O2
HBA: 6 RingCount: 4
HBD: 2 FractionCSP3: 0.33
AlogP: 3.95 Num_rotatable_bonds: 4
MolWt: 369.39 Num_heavy_atoms: 27
TPSA: 85.22 NumAromaticRings: 2

Sugarmoiety
SD04330

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