Glycoside
...
GD026324

Name:
None

Formula:
C53H88O20N18S2

Smiles:
Cc1cn(CC(=O)N(CCNC(=O)CN(CCNC(=O)CSCCCCCCSC[C@@H]2O[C@H](O[C@H]3[C@H](O[C@@H]4O[C@H](CN)[C@H](O)[C@H](O)[C@H]4N)[C@@H](N)C[C@@H](N)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CN)[C@H](O)[C@H](O)[C@H]2N)C(=O)Cn2cnc3c(O)nc(N)nc32)CC(N)=O)c(=O)[nH]c1=O

Aglycone:
CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn1cc(C)c(=O)[nH]c1=O)C(=O)Cn1cnc2c(O)nc(N)nc21.NC1CC(N)C(O)C(O)C1O

Sugarmoiety:
NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1O

Other Identifiers

Properties
HBA: 38 RingCount: 7
HBD: 26 FractionCSP3: 0.74
AlogP: -10.5 Num_rotatable_bonds: 33
MolWt: 1361.53 Num_heavy_atoms: 93
TPSA: 619.5 NumAromaticRings: 3

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
AD17356
Formula: C31H46O8N12S2

Smiles:
CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn1cc(C)c(=O)[nH]c1=O)C(=O)Cn1cnc2c(O)nc(N)nc21
HBA: 20 RingCount: 3
HBD: 8 FractionCSP3: 0.55
AlogP: -2.0 Num_rotatable_bonds: 23
MolWt: 778.92 Num_heavy_atoms: 53
TPSA: 286.62 NumAromaticRings: 3

Sugarmoiety
SD00021

NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1O