Glycoside
...
GD009991

Name:
None

Formula:
C43H51O11N7

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

Aglycone:
CC(O)C(=O)NC(C(=O)NC(CCC(=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: 18 RingCount: 6
HBD: 8 FractionCSP3: 0.42
AlogP: 1.14 Num_rotatable_bonds: 17
MolWt: 841.92 Num_heavy_atoms: 61
TPSA: 260.31 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
AD05034
Formula: C28H32O6N6

Smiles:
CC(O)C(=O)NC(C(=O)NC(CCC(=O)Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2)C(N)=O)C(C)C
HBA: 12 RingCount: 4
HBD: 6 FractionCSP3: 0.36
AlogP: 0.94 Num_rotatable_bonds: 10
MolWt: 548.6 Num_heavy_atoms: 40
TPSA: 183.29 NumAromaticRings: 2

Sugarmoiety
SD00014

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