Glycoside
...
GD002383

Name:
None

Formula:
C34H42O12N6

Smiles:
CC(=O)Nc1ccn(C2OC(C(COC(C)=O)NC(=O)C(Cc3c[nH]c4ccccc34)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(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C

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

Other Identifiers

Properties
HBA: 18 RingCount: 4
HBD: 4 FractionCSP3: 0.47
AlogP: 1.63 Num_rotatable_bonds: 12
MolWt: 726.74 Num_heavy_atoms: 52
TPSA: 235.34 NumAromaticRings: 3

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
AD02280
Formula: C20H27O5N3

Smiles:
CC(=O)OCCNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
HBA: 8 RingCount: 2
HBD: 3 FractionCSP3: 0.45
AlogP: 2.28 Num_rotatable_bonds: 7
MolWt: 389.45 Num_heavy_atoms: 28
TPSA: 109.52 NumAromaticRings: 2

Sugarmoiety
SD00105

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