Glycoside
...
GD017900

Name:
None

Formula:
C54H71O16N7

Smiles:
COC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](NC(=O)C(C)O[C@@H]1[C@H](O)[C@H](COC(=O)CCCCCCCCCCNC(=O)c2ccc([N+](=O)[O-])c3c(O)c4ccccc4nc23)O[C@H](OCc2ccccc2)[C@H]1NC(C)=O)C(C)C

Aglycone:
COC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(C)O)C(C)C.COC(=O)CCCCCCCCCCNC(=O)c1ccc([N+](=O)[O-])c2c(O)c3ccccc3nc12.OCc1ccccc1

Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 5
HBD: 8 FractionCSP3: 0.52
AlogP: 4.43 Num_rotatable_bonds: 30
MolWt: 1074.19 Num_heavy_atoms: 77
TPSA: 336.27 NumAromaticRings: 4

Unique Aglycone
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD12720
Formula: C14H25O6N3

Smiles:
COC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(C)O)C(C)C
HBA: 9 RingCount: 0
HBD: 5 FractionCSP3: 0.71
AlogP: -1.57 Num_rotatable_bonds: 9
MolWt: 331.37 Num_heavy_atoms: 23
TPSA: 147.82 NumAromaticRings: 0
AD12721
Formula: C26H31O6N3

Smiles:
COC(=O)CCCCCCCCCCNC(=O)c1ccc([N+](=O)[O-])c2c(O)c3ccccc3nc12
HBA: 9 RingCount: 3
HBD: 2 FractionCSP3: 0.42
AlogP: 5.42 Num_rotatable_bonds: 13
MolWt: 481.55 Num_heavy_atoms: 35
TPSA: 131.66 NumAromaticRings: 3

Sugarmoiety
SD00020

CC(=O)NC1C(O)OC(O)C(O)C1O