Glycoside
...
GD031745

Name:
None

Formula:
C47H79O16N9S

Smiles:
CC(=O)N[C@@H]1C(O)O[C@H](COC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@H](O)[C@H]1O[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)O)C(N)=O

Aglycone:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(N)=O.COC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21

Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 3
HBD: 13 FractionCSP3: 0.79
AlogP: -1.02 Num_rotatable_bonds: 36
MolWt: 1058.26 Num_heavy_atoms: 73
TPSA: 381.34 NumAromaticRings: 0

Unique Aglycone
AD00987
Formula: C11H19O6N3

Smiles:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(N)=O
HBA: 9 RingCount: 0
HBD: 6 FractionCSP3: 0.64
AlogP: -2.29 Num_rotatable_bonds: 8
MolWt: 289.29 Num_heavy_atoms: 20
TPSA: 158.82 NumAromaticRings: 0
AD20433
Formula: C29H51O6N5S

Smiles:
COC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21
HBA: 11 RingCount: 2
HBD: 5 FractionCSP3: 0.83
AlogP: 2.92 Num_rotatable_bonds: 23
MolWt: 597.82 Num_heavy_atoms: 41
TPSA: 154.73 NumAromaticRings: 0

Sugarmoiety
SD00020

CC(=O)NC1C(O)OC(O)C(O)C1O