Glycoside
...
GD009815

Name:
None

Formula:
C63H88O22N10

Smiles:
CC[C@H](C)[C@H](NC(=O)CNC(=O)OCc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1)C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](CC(C)C)C(=O)O)[C@H](C)O)C(C)C

Aglycone:
CCC(C)C(NC(=O)CNC(=O)OCc1ccc(O)c([N+](=O)[O-])c1)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(CC(C)C)C(=O)O)C(C)O)C(C)C

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 32 RingCount: 4
HBD: 15 FractionCSP3: 0.54
AlogP: -0.65 Num_rotatable_bonds: 36
MolWt: 1337.44 Num_heavy_atoms: 95
TPSA: 488.25 NumAromaticRings: 3

Unique Aglycone
AD07668
Formula: C57H80O16N10

Smiles:
CCC(C)C(NC(=O)CNC(=O)OCc1ccc(O)c([N+](=O)[O-])c1)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(CC(C)C)C(=O)O)C(C)O)C(C)C
HBA: 26 RingCount: 3
HBD: 12 FractionCSP3: 0.51
AlogP: 1.78 Num_rotatable_bonds: 33
MolWt: 1161.32 Num_heavy_atoms: 83
TPSA: 392.03 NumAromaticRings: 3

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O