Glycoside
...
GD009771

Name:
None

Formula:
C37H50O14N6

Smiles:
CC(=O)Nc1ccn(C2OC(C(COC(C)=O)NC(=O)C(CCCCNC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)C(OC(C)=O)C2OC(C)=O)c(=O)n1

Aglycone:
CC(=O)Nc1cc[nH]c(=O)n1.CC(=O)OCCNC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 20 RingCount: 3
HBD: 4 FractionCSP3: 0.54
AlogP: 2.0 Num_rotatable_bonds: 17
MolWt: 802.84 Num_heavy_atoms: 57
TPSA: 257.88 NumAromaticRings: 2

Unique Aglycone
AD02279
Formula: C6H7O2N3

Smiles:
CC(=O)Nc1cc[nH]c(=O)n1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: -0.27 Num_rotatable_bonds: 1
MolWt: 153.14 Num_heavy_atoms: 11
TPSA: 74.85 NumAromaticRings: 1
AD03121
Formula: C23H35O7N3

Smiles:
CC(=O)OCCNC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C
HBA: 10 RingCount: 1
HBD: 3 FractionCSP3: 0.57
AlogP: 2.66 Num_rotatable_bonds: 12
MolWt: 465.55 Num_heavy_atoms: 33
TPSA: 132.06 NumAromaticRings: 1

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O