Glycoside
...
GD121770

Name:
Desertomycin B

Formula:
C62H111O21N3

Smiles:
CC1=CCCC(C)C(O)C(C)C(O)CCC=CC(C)C(O)C=CC(C)C(O)C(C)=CC(OC2OC(CO)C(O)C(O)C2O)C(O)CC(O)CC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)C=CCC(C(C)C(O)CCCNC(=N)N)OC1=O

Aglycone:
CC1=CCCC(C)C(O)C(C)C(O)CCC=CC(C)C(O)C=CC(C)C(O)C(C)=CC(O)C(O)CC(O)CC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)C=CCC(C(C)C(O)CCCNC(=N)N)OC1=O

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

Other Identifiers

Properties
HBA: 24 RingCount: 2
HBD: 21 FractionCSP3: 0.81
AlogP: -0.03 Num_rotatable_bonds: 9
MolWt: 1234.57 Num_heavy_atoms: 86
TPSA: 450.57 NumAromaticRings: 0

Unique Aglycone
AD49032
Formula: C56H101O16N3

Smiles:
CC1=CCCC(C)C(O)C(C)C(O)CCC=CC(C)C(O)C=CC(C)C(O)C(C)=CC(O)C(O)CC(O)CC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)C=CCC(C(C)C(O)CCCNC(=N)N)OC1=O
HBA: 19 RingCount: 1
HBD: 18 FractionCSP3: 0.79
AlogP: 2.14 Num_rotatable_bonds: 6
MolWt: 1072.43 Num_heavy_atoms: 75
TPSA: 371.42 NumAromaticRings: 0

Sugarmoiety
SD00003

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