Glycoside
...
GD133740

Name:
Quadoctomycin

Formula:
C76H141O23N

Smiles:
CC1=CC(C)C(O)C(C)=CC(OC2OC(CO)C(O)C(O)C2O)C(O)C(C)C(O)CC(O)C=CC(C)C(O)C(C)CCC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)C(C)C(C(C)CC(C)CCC(O)CCCN)OC(=O)CCCCCC(O)C(C)C(O)C(C)CC=CC(C)C1O

Aglycone:
CC1=CC(C)C(O)C(C)=CC(O)C(O)C(C)C(O)CC(O)C=CC(C)C(O)C(C)CCC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)C(C)C(C(C)CC(C)CCC(O)CCCN)OC(=O)CCCCCC(O)C(C)C(O)C(C)CC=CC(C)C1O

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

Other Identifiers

Properties
HBA: 24 RingCount: 2
HBD: 21 FractionCSP3: 0.88
AlogP: 3.74 Num_rotatable_bonds: 12
MolWt: 1436.95 Num_heavy_atoms: 100
TPSA: 455.15 NumAromaticRings: 0

Unique Aglycone
AD54115
Formula: C70H131O18N

Smiles:
CC1=CC(C)C(O)C(C)=CC(O)C(O)C(C)C(O)CC(O)C=CC(C)C(O)C(C)CCC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)C(C)C(C(C)CC(C)CCC(O)CCCN)OC(=O)CCCCCC(O)C(C)C(O)C(C)CC=CC(C)C1O
HBA: 19 RingCount: 1
HBD: 18 FractionCSP3: 0.87
AlogP: 5.91 Num_rotatable_bonds: 9
MolWt: 1274.81 Num_heavy_atoms: 89
TPSA: 376.0 NumAromaticRings: 0

Sugarmoiety
SD00003

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