Glycoside
...
GD021266

Name:
None

Formula:
C55H74O17N8

Smiles:
CC(=O)NC1C(OCc2ccccc2)OC(COC(=O)CCCCCCCCCCNC(=O)CCNc2ccc([N+](=O)[O-])c3[nH]c4ccc(O)cc4c(=O)c23)C(O)C1OC(C)C(=O)N[C@H](C(=O)N[C@H](CCC(=O)O)C(N)=O)C(C)C

Aglycone:
CC(O)C(=O)NC(C(=O)NC(CCC(=O)O)C(N)=O)C(C)C.COC(=O)CCCCCCCCCCNC(=O)CCNc1ccc([N+](=O)[O-])c2[nH]c3ccc(O)cc3c(=O)c12.OCc1ccccc1

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

Other Identifiers

Properties
HBA: 25 RingCount: 5
HBD: 11 FractionCSP3: 0.53
AlogP: 3.82 Num_rotatable_bonds: 33
MolWt: 1119.24 Num_heavy_atoms: 80
TPSA: 379.27 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
AD06780
Formula: C13H23O6N3

Smiles:
CC(O)C(=O)NC(C(=O)NC(CCC(=O)O)C(N)=O)C(C)C
HBA: 9 RingCount: 0
HBD: 6 FractionCSP3: 0.69
AlogP: -1.66 Num_rotatable_bonds: 9
MolWt: 317.34 Num_heavy_atoms: 22
TPSA: 158.82 NumAromaticRings: 0
AD14567
Formula: C28H36O7N4

Smiles:
COC(=O)CCCCCCCCCCNC(=O)CCNc1ccc([N+](=O)[O-])c2[nH]c3ccc(O)cc3c(=O)c12
HBA: 11 RingCount: 3
HBD: 4 FractionCSP3: 0.46
AlogP: 4.9 Num_rotatable_bonds: 16
MolWt: 540.62 Num_heavy_atoms: 39
TPSA: 163.66 NumAromaticRings: 3

Sugarmoiety
SD00020

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