Glycoside
...
GD027558

Name:
None

Formula:
C43H73O17N5

Smiles:
COC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)CCOC[C@@H]1O[C@H](OCCCNC(=O)[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)C(C)C

Aglycone:
CC(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)NCCCO)C(C)C.COCCC(=O)NC(C(=O)NC(CC(C)C)C(=O)OC)C(C)C

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

Other Identifiers

Properties
HBA: 22 RingCount: 1
HBD: 5 FractionCSP3: 0.79
AlogP: 1.33 Num_rotatable_bonds: 25
MolWt: 932.08 Num_heavy_atoms: 65
TPSA: 287.62 NumAromaticRings: 0

Unique Aglycone
AD03441
Formula: C16H31O5N3

Smiles:
CC(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)NCCCO)C(C)C
HBA: 8 RingCount: 0
HBD: 4 FractionCSP3: 0.81
AlogP: 0.54 Num_rotatable_bonds: 8
MolWt: 345.44 Num_heavy_atoms: 24
TPSA: 116.76 NumAromaticRings: 0
AD09105
Formula: C16H30O5N2

Smiles:
COCCC(=O)NC(C(=O)NC(CC(C)C)C(=O)OC)C(C)C
HBA: 7 RingCount: 0
HBD: 2 FractionCSP3: 0.81
AlogP: 0.87 Num_rotatable_bonds: 10
MolWt: 330.43 Num_heavy_atoms: 23
TPSA: 93.73 NumAromaticRings: 0

Sugarmoiety
SD00012

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