Glycoside
...
GD149968

Name:
Aculeximycin

Formula:
C81H144O33N2

Smiles:
CCCC(OC1CC(C)(N)C(O)C(C)O1)C(C)C(O)C(C=CC(O)C(C)C1CC=C(C)C(O)C(C)C(OC2OC(CO)C(O)C(O)C2O)CC(O)C(C)C(O)CC2CC(O)C(O)C(O)(CC(OC3OC(C)C(O)C(OC4CC(N)C(O)C(C)O4)C3OC3OC(C)C(O)C(O)C3O)C(C)CCC(O)CC(O)CC=C(CC)C(=O)O1)O2)CC

Aglycone:
CC1OC(O)CC(N)C1O.CCCC(OC1CC(C)(N)C(O)C(C)O1)C(C)C(O)C(C=CC(O)C(C)C1CC=C(C)C(O)C(C)C(O)CC(O)C(C)C(O)CC2CC(O)C(O)C(O)(CC(O)C(C)CCC(O)CC(O)CC=C(CC)C(=O)O1)O2)CC

Sugarmoiety:
CC1OC(OC2C(O)OC(C)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 35 RingCount: 7
HBD: 24 FractionCSP3: 0.91
AlogP: -1.7 Num_rotatable_bonds: 22
MolWt: 1674.02 Num_heavy_atoms: 116
TPSA: 584.47 NumAromaticRings: 0

Unique Aglycone
AD01040
Formula: C6H13O3N

Smiles:
CC1OC(O)CC(N)C1O
HBA: 4 RingCount: 1
HBD: 4 FractionCSP3: 1.0
AlogP: -1.2 Num_rotatable_bonds: 0
MolWt: 147.17 Num_heavy_atoms: 10
TPSA: 75.71 NumAromaticRings: 0
AD59940
Formula: C57H103O18N

Smiles:
CCCC(OC1CC(C)(N)C(O)C(C)O1)C(C)C(O)C(C=CC(O)C(C)C1CC=C(C)C(O)C(C)C(O)CC(O)C(C)C(O)CC2CC(O)C(O)C(O)(CC(O)C(C)CCC(O)CC(O)CC=C(CC)C(=O)O1)O2)CC
HBA: 19 RingCount: 3
HBD: 15 FractionCSP3: 0.88
AlogP: 2.92 Num_rotatable_bonds: 13
MolWt: 1090.44 Num_heavy_atoms: 76
TPSA: 343.0 NumAromaticRings: 0

Sugarmoiety
SD04320

CC1OC(OC2C(O)OC(C)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O