Glycoside
...
GD015754

Name:
None

Formula:
C87H153O22N43S

Smiles:
N=C(N)NCCC[C@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(OCc2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1)C(=O)O

Aglycone:
N=C(N)NCCCC(NC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccc(OCC2=C[N]N=N2)cc1)C(=O)O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 65 RingCount: 5
HBD: 55 FractionCSP3: 0.64
AlogP: -13.25 Num_rotatable_bonds: 73
MolWt: 2185.53 Num_heavy_atoms: 153
TPSA: 1123.02 NumAromaticRings: 2

Unique Aglycone
AD04111
Formula: C81H142O17N43S

Smiles:
N=C(N)NCCCC(NC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccc(OCC2=C[N]N=N2)cc1)C(=O)O
HBA: 60 RingCount: 4
HBD: 51 FractionCSP3: 0.62
AlogP: -10.19 Num_rotatable_bonds: 71
MolWt: 2022.38 Num_heavy_atoms: 142
TPSA: 1040.98 NumAromaticRings: 1

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O