Glycoside
...
GD034385

Name:
None

Formula:
C48H60O14N4

Smiles:
CC(=O)OC[C@@H]1O[C@H](OCc2cn(CCCCCCc3c(C)c(C)c4c(c3C)CCC(C)(COc3ccc(C=C5CC(=O)NC5=O)cc3)O4)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Cc1c(C)c2c(c(C)c1CCCCCCn1cc(CO)nn1)CCC(C)(COc1ccc(C=C3CC(=O)NC3=O)cc1)O2

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 1 FractionCSP3: 0.54
AlogP: 5.2 Num_rotatable_bonds: 19
MolWt: 917.02 Num_heavy_atoms: 66
TPSA: 219.0 NumAromaticRings: 3

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD21869
Formula: C34H42O5N4

Smiles:
Cc1c(C)c2c(c(C)c1CCCCCCn1cc(CO)nn1)CCC(C)(COc1ccc(C=C3CC(=O)NC3=O)cc1)O2
HBA: 9 RingCount: 5
HBD: 2 FractionCSP3: 0.47
AlogP: 5.09 Num_rotatable_bonds: 12
MolWt: 586.73 Num_heavy_atoms: 43
TPSA: 115.57 NumAromaticRings: 3

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O