Glycoside
...
GD003082

Name:
None

Formula:
C41H48O12N6

Smiles:
CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OCC(=O)NC(C)C(=O)NC(CCC(=O)OCCNC(=O)c1cccc2cc3ccccc3nc12)C(N)=O

Aglycone:
CC(NC(=O)CO)C(=O)NC(CCC(=O)OCCNC(=O)c1cccc2cc3ccccc3nc12)C(N)=O.OCc1ccccc1

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

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 8 FractionCSP3: 0.39
AlogP: 0.1 Num_rotatable_bonds: 19
MolWt: 816.86 Num_heavy_atoms: 59
TPSA: 266.83 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
AD01562
Formula: C26H29O7N5

Smiles:
CC(NC(=O)CO)C(=O)NC(CCC(=O)OCCNC(=O)c1cccc2cc3ccccc3nc12)C(N)=O
HBA: 12 RingCount: 3
HBD: 6 FractionCSP3: 0.31
AlogP: -0.09 Num_rotatable_bonds: 12
MolWt: 523.55 Num_heavy_atoms: 38
TPSA: 189.81 NumAromaticRings: 3

Sugarmoiety
SD00014

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