Glycoside
...
GD003771

Name:
None

Formula:
C40H45O11N7

Smiles:
CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OCC(=O)NC(C)C(=O)NC(CCC(=O)Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2)C(N)=O

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

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

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 8 FractionCSP3: 0.38
AlogP: 0.11 Num_rotatable_bonds: 16
MolWt: 799.84 Num_heavy_atoms: 58
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
AD03380
Formula: C25H26O6N6

Smiles:
CC(NC(=O)CO)C(=O)NC(CCC(=O)Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2)C(N)=O
HBA: 12 RingCount: 4
HBD: 6 FractionCSP3: 0.28
AlogP: -0.08 Num_rotatable_bonds: 9
MolWt: 506.52 Num_heavy_atoms: 37
TPSA: 183.29 NumAromaticRings: 2

Sugarmoiety
SD00014

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