Glycoside
...
GD031988

Name:
None

Formula:
C49H60O12N8

Smiles:
CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OC(C)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCC(=O)NCCCCCC(=O)Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2)C(N)=O

Aglycone:
CC(O)C(=O)N1CCCC1C(=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: 7
HBD: 8 FractionCSP3: 0.47
AlogP: 1.66 Num_rotatable_bonds: 21
MolWt: 953.06 Num_heavy_atoms: 69
TPSA: 280.62 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
AD20553
Formula: C34H41O7N7

Smiles:
CC(O)C(=O)N1CCCC1C(=O)NC(CCC(=O)NCCCCCC(=O)Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2)C(N)=O
HBA: 14 RingCount: 5
HBD: 6 FractionCSP3: 0.44
AlogP: 1.47 Num_rotatable_bonds: 14
MolWt: 659.74 Num_heavy_atoms: 48
TPSA: 203.6 NumAromaticRings: 2

Sugarmoiety
SD00014

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