Glycoside
...
GD009605

Name:
None

Formula:
C48H60O12N8

Smiles:
CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OCC(=O)N[C@H](C(=O)N[C@H](CCC(=O)NCCCCCC(=O)Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2)C(N)=O)C(C)C

Aglycone:
CC(C)C(NC(=O)CO)C(=O)NC(CCC(=O)NCCCCCC(=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: 20 RingCount: 6
HBD: 9 FractionCSP3: 0.46
AlogP: 1.43 Num_rotatable_bonds: 23
MolWt: 941.05 Num_heavy_atoms: 68
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
AD05180
Formula: C33H41O7N7

Smiles:
CC(C)C(NC(=O)CO)C(=O)NC(CCC(=O)NCCCCCC(=O)Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2)C(N)=O
HBA: 14 RingCount: 4
HBD: 7 FractionCSP3: 0.42
AlogP: 1.23 Num_rotatable_bonds: 16
MolWt: 647.73 Num_heavy_atoms: 47
TPSA: 212.39 NumAromaticRings: 2

Sugarmoiety
SD00014

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