Glycoside
...
GD114646

Name:
None

Formula:
C32H38O11N2

Smiles:
CC(C)C(CNC(O)C1(O)C(Oc2ccc3c(c2)OCC(=C2C=CC(O)=C[CH-]2)C3=O)OC(C(=O)O)C(O)C1O)CC1=CC[NH+]=C1

Aglycone:
CC(C)C(CNCO)CC1=CC[NH+]=C1.O=C1C(=C2C=CC(O)=C[CH-]2)COc2cc(O)ccc21

Sugarmoiety:
O=C(O)C1OC(O)C(O)(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 8 FractionCSP3: 0.44
AlogP: -0.92 Num_rotatable_bonds: 10
MolWt: 626.66 Num_heavy_atoms: 45
TPSA: 209.21 NumAromaticRings: 1

Unique Aglycone
AD45186
Formula: C11H21ON2

Smiles:
CC(C)C(CNCO)CC1=CC[NH+]=C1
HBA: 3 RingCount: 1
HBD: 3 FractionCSP3: 0.73
AlogP: -0.72 Num_rotatable_bonds: 6
MolWt: 197.3 Num_heavy_atoms: 14
TPSA: 46.23 NumAromaticRings: 0
AD45187
Formula: C15H11O4

Smiles:
O=C1C(=C2C=CC(O)=C[CH-]2)COc2cc(O)ccc21
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.07
AlogP: 2.48 Num_rotatable_bonds: 0
MolWt: 255.25 Num_heavy_atoms: 19
TPSA: 66.76 NumAromaticRings: 1

Sugarmoiety
SD04425

O=C(O)C1OC(O)C(O)(O)C(O)C1O