Glycoside
...
GD150982

Name:
Gpl-8

Formula:
C81H140O26N4

Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)=NC(Cc1ccccc1)C(O)=NC(C(O)=NC(C)C(O)=NC(C)COC1OC(C)C(OC)C(OC)C1O)C(C)OC1OC(C)C(O)C(O)C1OC1OC(C)C(O)C(OC2OC3COC(C)(C(=O)O)OC3C(OC)C2O)C1O

Aglycone:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)=NC(Cc1ccccc1)C(O)=NC(C(O)=NC(C)C(O)=NC(C)CO)C(C)O.COC1C(O)C(O)OC2COC(C)(C(=O)O)OC21

Sugarmoiety:
CC1OC(OC2C(O)OC(C)C(O)C2O)C(O)C(O)C1O.COC1C(C)OC(O)C(O)C1OC

Other Identifiers

Properties
HBA: 30 RingCount: 6
HBD: 12 FractionCSP3: 0.86
AlogP: 9.84 Num_rotatable_bonds: 53
MolWt: 1586.01 Num_heavy_atoms: 111
TPSA: 429.26 NumAromaticRings: 1

Unique Aglycone
AD46810
Formula: C51H92O7N4

Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)=NC(Cc1ccccc1)C(O)=NC(C(O)=NC(C)C(O)=NC(C)CO)C(C)O
HBA: 11 RingCount: 1
HBD: 7 FractionCSP3: 0.8
AlogP: 12.64 Num_rotatable_bonds: 41
MolWt: 873.32 Num_heavy_atoms: 62
TPSA: 191.05 NumAromaticRings: 1
AD60263
Formula: C10H16O8

Smiles:
COC1C(O)C(O)OC2COC(C)(C(=O)O)OC21
HBA: 8 RingCount: 2
HBD: 3 FractionCSP3: 0.9
AlogP: -1.7 Num_rotatable_bonds: 2
MolWt: 264.23 Num_heavy_atoms: 18
TPSA: 114.68 NumAromaticRings: 0

Sugarmoiety
SD09857

CC1OC(OC2C(O)OC(C)C(O)C2O)C(O)C(O)C1O.COC1C(C)OC(O)C(O)C1OC