Glycoside
...
GD004381

Name:
None

Formula:
C41H69O16N9S

Smiles:
CC(=O)NC(C=NNC(=O)CCCCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12)C(OC(CO)CO)OC1C(CO)OC(OC2C(O)C3N=C(N(C)C)OC3C2CO)C(NC(C)=O)C1O

Aglycone:
CC(=O)NC(C=NNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21)C(O)OC(CO)CO.CN(C)C1=NC2C(O)C(O)C(CO)C2O1

Sugarmoiety:
CC(=O)NC(O)C(O)OOCO.OCC(O)CO

Other Identifiers

Properties
HBA: 25 RingCount: 5
HBD: 12 FractionCSP3: 0.83
AlogP: -4.29 Num_rotatable_bonds: 26
MolWt: 976.12 Num_heavy_atoms: 67
TPSA: 353.02 NumAromaticRings: 0

Unique Aglycone
AD01895
Formula: C9H16O4N2

Smiles:
CN(C)C1=NC2C(O)C(O)C(CO)C2O1
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.89
AlogP: -1.98 Num_rotatable_bonds: 1
MolWt: 216.24 Num_heavy_atoms: 15
TPSA: 85.52 NumAromaticRings: 0
AD03835
Formula: C24H42O8N6S

Smiles:
CC(=O)NC(C=NNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21)C(O)OC(CO)CO
HBA: 14 RingCount: 2
HBD: 8 FractionCSP3: 0.79
AlogP: -1.32 Num_rotatable_bonds: 19
MolWt: 574.7 Num_heavy_atoms: 39
TPSA: 210.71 NumAromaticRings: 0

Sugarmoiety
SD00858

CC(=O)NC(O)C(O)OOCO.OCC(O)CO