Glycoside
...
GD000373

Name:
LUCENSIMYCIN G

Formula:
C46H62O21N2S

Smiles:
CC(=O)N[C@H](CSC[C@@H]1OC(=O)[C@@]2(C1=O)C(=O)[C@@]1(C)[C@@H](C=C[C@@H]3[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)C[C@H]31)C[C@H]2C=CC=CC=CC(=O)O)C(=O)N[C@@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]2O)O[C@H](CO)[C@H](O)[C@H]1O

Aglycone:
CC(=O)NC(CSCC1OC(=O)C2(C1=O)C(=O)C1(C)C(C=CC3C(O)C(C)C(OC(C)=O)CC31)CC2C=CC=CC=CC(=O)O)C(N)=O.OC1C(O)C(O)C(O)C(O)C1O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 6
HBD: 12 FractionCSP3: 0.67
AlogP: -4.07 Num_rotatable_bonds: 15
MolWt: 1011.06 Num_heavy_atoms: 70
TPSA: 382.77 NumAromaticRings: 0

Unique Aglycone
AD00420
Formula: C34H42O11N2S

Smiles:
CC(=O)NC(CSCC1OC(=O)C2(C1=O)C(=O)C1(C)C(C=CC3C(O)C(C)C(OC(C)=O)CC31)CC2C=CC=CC=CC(=O)O)C(N)=O
HBA: 13 RingCount: 4
HBD: 5 FractionCSP3: 0.56
AlogP: 1.29 Num_rotatable_bonds: 11
MolWt: 686.78 Num_heavy_atoms: 48
TPSA: 216.46 NumAromaticRings: 0
AD00421
Formula: C6H12O6

Smiles:
OC1C(O)C(O)C(O)C(O)C1O
HBA: 6 RingCount: 1
HBD: 6 FractionCSP3: 1.0
AlogP: -3.83 Num_rotatable_bonds: 0
MolWt: 180.16 Num_heavy_atoms: 12
TPSA: 121.38 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O