Glycoside
...
GD020261

Name:
None

Formula:
C51H64O16N7Br

Smiles:
COC(=O)CC[C@H](NC(=O)[C@H](C)NC(=O)COC1C(O)C(COC(=O)CCCCCCCCCCNC(=O)c2ccc([N+](=O)[O-])c3[nH]c4cc(Br)ccc4c(=O)c23)OC(OCc2ccccc2)C1NC(C)=O)C(N)=O

Aglycone:
COC(=O)CCC(NC(=O)C(C)NC(=O)CO)C(N)=O.COC(=O)CCCCCCCCCCNC(=O)c1ccc([N+](=O)[O-])c2[nH]c3cc(Br)ccc3c(=O)c12.OCc1ccccc1

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

Other Identifiers

Properties
HBA: 23 RingCount: 5
HBD: 8 FractionCSP3: 0.49
AlogP: 3.76 Num_rotatable_bonds: 29
MolWt: 1111.01 Num_heavy_atoms: 75
TPSA: 336.01 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
AD00970
Formula: C11H19O6N3

Smiles:
COC(=O)CCC(NC(=O)C(C)NC(=O)CO)C(N)=O
HBA: 9 RingCount: 0
HBD: 5 FractionCSP3: 0.64
AlogP: -2.59 Num_rotatable_bonds: 8
MolWt: 289.29 Num_heavy_atoms: 20
TPSA: 147.82 NumAromaticRings: 0
AD14021
Formula: C26H30O6N3Br

Smiles:
COC(=O)CCCCCCCCCCNC(=O)c1ccc([N+](=O)[O-])c2[nH]c3cc(Br)ccc3c(=O)c12
HBA: 9 RingCount: 3
HBD: 2 FractionCSP3: 0.42
AlogP: 5.77 Num_rotatable_bonds: 13
MolWt: 560.45 Num_heavy_atoms: 36
TPSA: 131.4 NumAromaticRings: 3

Sugarmoiety
SD00020

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