Glycoside
...
GD136313

Name:
Shengjimycin B3

Formula:
C49H82O16N2

Smiles:
CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C(OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC)C(C)O3)C(N(C)C)C2O)C1OC

Aglycone:
CCC(=O)O.CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C(O)C1OC

Sugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1

Other Identifiers

Properties
HBA: 18 RingCount: 4
HBD: 2 FractionCSP3: 0.84
AlogP: 4.25 Num_rotatable_bonds: 15
MolWt: 955.19 Num_heavy_atoms: 67
TPSA: 207.52 NumAromaticRings: 0

Unique Aglycone
AD00155
Formula: C3H6O2

Smiles:
CCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: 0.48 Num_rotatable_bonds: 1
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 37.3 NumAromaticRings: 0
AD49952
Formula: C31H51O9N

Smiles:
CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C(O)C1OC
HBA: 10 RingCount: 2
HBD: 1 FractionCSP3: 0.77
AlogP: 3.59 Num_rotatable_bonds: 8
MolWt: 581.75 Num_heavy_atoms: 41
TPSA: 120.83 NumAromaticRings: 0

Sugarmoiety
SD00067

CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1