Glycoside
...
GD007146

Name:
None

Formula:
C41H48O13N6

Smiles:
CC(=O)N[C@@H]1[C@H](OCC(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)OCCNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C(N)=O)C(O)C(CO)O[C@H]1OCc1ccccc1

Aglycone:
CC(NC(=O)CO)C(=O)NC(CCC(=O)OCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(N)=O.OCc1ccccc1

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

Other Identifiers

Properties
HBA: 19 RingCount: 5
HBD: 9 FractionCSP3: 0.39
AlogP: -0.61 Num_rotatable_bonds: 19
MolWt: 832.86 Num_heavy_atoms: 60
TPSA: 286.8 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
AD05841
Formula: C26H29O8N5

Smiles:
CC(NC(=O)CO)C(=O)NC(CCC(=O)OCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(N)=O
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.31
AlogP: -0.8 Num_rotatable_bonds: 12
MolWt: 539.55 Num_heavy_atoms: 39
TPSA: 209.78 NumAromaticRings: 3

Sugarmoiety
SD00014

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