Glycoside
...
GD150705

Name:
Ws9326H

Formula:
C63H84O19N12

Smiles:
CCCC=Cc1ccccc1C(CC(O)=NC1C(=O)N(C)C(=Cc2ccc(O)cc2)C(=O)NC(CC(C)C)C(O)=NC(Cc2ccccc2)C(O)=NC(C(C)O)C(O)=NC(CC(=N)O)C(O)=NC(CO)C(=O)OC1C)C1(N)C(O)=NN=C1C(=O)NCC(O)C(O)C(O)CO

Aglycone:
CCCC=Cc1ccccc1C(CC(O)=NC1C(=O)N(C)C(=Cc2ccc(O)cc2)C(=O)NC(CC(C)C)C(O)=NC(Cc2ccccc2)C(O)=NC(C(C)O)C(O)=NC(CC(=N)O)C(O)=NC(CO)C(=O)OC1C)C1(N)C(O)=NN=C1C(=O)NC

Sugarmoiety:
OCC(O)C(O)C(O)O

Other Identifiers

Properties
HBA: 31 RingCount: 5
HBD: 19 FractionCSP3: 0.46
AlogP: 2.04 Num_rotatable_bonds: 23
MolWt: 1313.43 Num_heavy_atoms: 94
TPSA: 524.42 NumAromaticRings: 3

Unique Aglycone
AD60171
Formula: C59H76O15N12

Smiles:
CCCC=Cc1ccccc1C(CC(O)=NC1C(=O)N(C)C(=Cc2ccc(O)cc2)C(=O)NC(CC(C)C)C(O)=NC(Cc2ccccc2)C(O)=NC(C(C)O)C(O)=NC(CC(=N)O)C(O)=NC(CO)C(=O)OC1C)C1(N)C(O)=NN=C1C(=O)NC
HBA: 27 RingCount: 5
HBD: 15 FractionCSP3: 0.42
AlogP: 4.59 Num_rotatable_bonds: 18
MolWt: 1193.33 Num_heavy_atoms: 86
TPSA: 443.5 NumAromaticRings: 3

Sugarmoiety
SD00255

OCC(O)C(O)C(O)O