Glycoside
...
GD156756

Name:
None

Formula:
C57H80O21N2

Smiles:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(OC5CC(OC6CC(O)C(OC(C)=O)C(C)O6)C(OC(C)=O)C(C)O5)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C=O)=CC(O)C4C=C2C)OC3=O)CC1(C)[NH+]([O-])O

Aglycone:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C=O)=CC(O)C4C=C2C)OC3=O)CC1(C)[NH+]([O-])O

Sugarmoiety:
CC(=O)OC1C(O)CC(OC2CC(O)OC(C)C2OC(C)=O)OC1C

Other Identifiers

Properties
HBA: 23 RingCount: 8
HBD: 6 FractionCSP3: 0.72
AlogP: 3.81 Num_rotatable_bonds: 11
MolWt: 1129.26 Num_heavy_atoms: 80
TPSA: 318.66 NumAromaticRings: 0

Unique Aglycone
AD48587
Formula: C41H56O13N2

Smiles:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C=O)=CC(O)C4C=C2C)OC3=O)CC1(C)[NH+]([O-])O
HBA: 15 RingCount: 6
HBD: 6 FractionCSP3: 0.66
AlogP: 2.91 Num_rotatable_bonds: 5
MolWt: 784.9 Num_heavy_atoms: 56
TPSA: 229.14 NumAromaticRings: 0

Sugarmoiety
SD10498

CC(=O)OC1C(O)CC(OC2CC(O)OC(C)C2OC(C)=O)OC1C