Glycoside
...
GD021461

Name:
None

Formula:
C47H58O12N8

Smiles:
CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OC(C)C(=O)NC(C(=O)NC(CCC(=O)NCCCC(=O)Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2)C(N)=O)C(C)C

Aglycone:
CC(O)C(=O)NC(C(=O)NC(CCC(=O)NCCCC(=O)Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2)C(N)=O)C(C)C.OCc1ccccc1

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

Other Identifiers

Properties
HBA: 20 RingCount: 6
HBD: 9 FractionCSP3: 0.45
AlogP: 1.03 Num_rotatable_bonds: 21
MolWt: 927.02 Num_heavy_atoms: 67
TPSA: 289.41 NumAromaticRings: 3

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
AD14676
Formula: C32H39O7N7

Smiles:
CC(O)C(=O)NC(C(=O)NC(CCC(=O)NCCCC(=O)Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2)C(N)=O)C(C)C
HBA: 14 RingCount: 4
HBD: 7 FractionCSP3: 0.41
AlogP: 0.84 Num_rotatable_bonds: 14
MolWt: 633.71 Num_heavy_atoms: 46
TPSA: 212.39 NumAromaticRings: 2

Sugarmoiety
SD00014

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