Glycoside
...
GD012202

Name:
None

Formula:
C119H182O33N32S

Smiles:
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)[C@H](C)O)C(C)C)[C@H](C)O)C(C)C)C(=O)N[C@H](C(=O)N[C@H](CCCCN)C(=O)O)C(C)C

Aglycone:
CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)O)NC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(N)C(C)O)C(C)C)C(C)O)C(C)C)C(=O)NC(C(=O)NC(CCCCN)C(=O)O)C(C)C

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

Other Identifiers

Properties
HBA: 65 RingCount: 8
HBD: 42 FractionCSP3: 0.6
AlogP: -9.37 Num_rotatable_bonds: 76
MolWt: 2621.02 Num_heavy_atoms: 185
TPSA: 1039.27 NumAromaticRings: 5

Unique Aglycone
AD09215
Formula: C113H172O28N32S

Smiles:
CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)O)NC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(N)C(C)O)C(C)C)C(C)O)C(C)C)C(=O)NC(C(=O)NC(CCCCN)C(=O)O)C(C)C
HBA: 60 RingCount: 7
HBD: 39 FractionCSP3: 0.58
AlogP: -6.81 Num_rotatable_bonds: 74
MolWt: 2458.88 Num_heavy_atoms: 174
TPSA: 963.11 NumAromaticRings: 5

Sugarmoiety
SD00003

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