Glycoside
...
GD012732

Name:
None

Formula:
C37H61O12N7S

Smiles:
CC(=O)CC(=O)N(CCc1ccccc1)CC(C)(C)[C@H](O)C(=O)NCCC(=O)NCCSCC(=O)NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@H](O)[C@H]1O

Aglycone:
CNC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)CN(CCc1ccccc1)C(=O)CC(C)=O.NC1CC(N)C(O)C(O)C1O

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

Other Identifiers

Properties
HBA: 19 RingCount: 3
HBD: 14 FractionCSP3: 0.7
AlogP: -4.16 Num_rotatable_bonds: 21
MolWt: 828.0 Num_heavy_atoms: 57
TPSA: 322.35 NumAromaticRings: 1

Unique Aglycone
AD00009
Formula: C6H14O3N2

Smiles:
NC1CC(N)C(O)C(O)C1O
HBA: 5 RingCount: 1
HBD: 7 FractionCSP3: 1.0
AlogP: -2.87 Num_rotatable_bonds: 0
MolWt: 162.19 Num_heavy_atoms: 11
TPSA: 112.73 NumAromaticRings: 0
AD09567
Formula: C26H40O6N4S

Smiles:
CNC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)CN(CCc1ccccc1)C(=O)CC(C)=O
HBA: 10 RingCount: 1
HBD: 4 FractionCSP3: 0.58
AlogP: 0.53 Num_rotatable_bonds: 17
MolWt: 536.7 Num_heavy_atoms: 37
TPSA: 144.91 NumAromaticRings: 1

Sugarmoiety
SD00266

NC1C(O)OC(O)C(O)C1O