Glycoside
...
GD036004

Name:
None

Formula:
C33H41O12N5

Smiles:
CC(=O)OCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C1OC(n2cc(C)c(=O)[nH]c2=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CC(=O)OCCNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C.Cc1c[nH]c(=O)[nH]c1=O

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

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 4 FractionCSP3: 0.48
AlogP: 1.27 Num_rotatable_bonds: 11
MolWt: 699.71 Num_heavy_atoms: 50
TPSA: 226.21 NumAromaticRings: 3

Unique Aglycone
AD00276
Formula: C5H6O2N2

Smiles:
Cc1c[nH]c(=O)[nH]c1=O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.2
AlogP: -0.63 Num_rotatable_bonds: 0
MolWt: 126.11 Num_heavy_atoms: 9
TPSA: 65.72 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