Glycoside
...
GD030849

Name:
None

Formula:
C40H48O13N8

Smiles:
CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OCC(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)NCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12)C(N)=O

Aglycone:
CC(NC(=O)CO)C(=O)NC(CCC(=O)NCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12)C(N)=O.OCc1ccccc1

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

Other Identifiers

Properties
HBA: 21 RingCount: 5
HBD: 10 FractionCSP3: 0.4
AlogP: -0.44 Num_rotatable_bonds: 20
MolWt: 848.87 Num_heavy_atoms: 61
TPSA: 315.67 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
AD19948
Formula: C25H29O8N7

Smiles:
CC(NC(=O)CO)C(=O)NC(CCC(=O)NCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12)C(N)=O
HBA: 15 RingCount: 3
HBD: 8 FractionCSP3: 0.32
AlogP: -0.64 Num_rotatable_bonds: 13
MolWt: 555.55 Num_heavy_atoms: 40
TPSA: 238.65 NumAromaticRings: 3

Sugarmoiety
SD00014

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