Glycoside
...
GD013346

Name:
None

Formula:
C65H101O26N19

Smiles:
CC(C)[C@H](NC(=O)C=NO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](C)C(N)=O)[C@H](C)O

Aglycone:
CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(CCC(N)=O)NC(=O)C(CC(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(NC(=O)C=NO)C(C)C)C(C)O)C(N)=O

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

Other Identifiers

Properties
HBA: 45 RingCount: 3
HBD: 30 FractionCSP3: 0.6
AlogP: -10.68 Num_rotatable_bonds: 50
MolWt: 1564.63 Num_heavy_atoms: 110
TPSA: 756.89 NumAromaticRings: 2

Unique Aglycone
AD09973
Formula: C59H91O21N19

Smiles:
CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(CCC(N)=O)NC(=O)C(CC(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(NC(=O)C=NO)C(C)C)C(C)O)C(N)=O
HBA: 40 RingCount: 2
HBD: 27 FractionCSP3: 0.56
AlogP: -8.03 Num_rotatable_bonds: 47
MolWt: 1402.49 Num_heavy_atoms: 99
TPSA: 677.74 NumAromaticRings: 2

Sugarmoiety
SD00003

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