Glycoside
...
GD038717

Name:
calicheamicin gamma-1-oligosaccharide

Formula:
C38H61O17N2SI

Smiles:
CCN[C@@H]1CO[C@@H](O[C@@H]2[C@@H](O)[C@@H](NO[C@@H]3C[C@@H](O)[C@@H](SC(=O)c4c(C)c(I)c(O[C@H]5O[C@H](C)[C@H](O)[C@H](OC)[C@@H]5O)c(OC)c4OC)[C@@H](C)O3)[C@@H](C)O[C@H]2OC)C[C@H]1OC

Aglycone:
CCNC1COC(O)CC1OC.COc1c(O)c(I)c(C)c(C(=O)SC2C(O)CC(ON)OC2C)c1OC

Sugarmoiety:
COC1C(O)C(C)OC(O)C1O.COC1OC(C)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 5
HBD: 6 FractionCSP3: 0.82
AlogP: 0.98 Num_rotatable_bonds: 16
MolWt: 976.87 Num_heavy_atoms: 59
TPSA: 232.81 NumAromaticRings: 1

Unique Aglycone
AD01087
Formula: C8H17O3N

Smiles:
CCNC1COC(O)CC1OC
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 1.0
AlogP: -0.28 Num_rotatable_bonds: 3
MolWt: 175.23 Num_heavy_atoms: 12
TPSA: 50.72 NumAromaticRings: 0
AD01089
Formula: C16H22O7NSI

Smiles:
COc1c(O)c(I)c(C)c(C(=O)SC2C(O)CC(ON)OC2C)c1OC
HBA: 8 RingCount: 2
HBD: 4 FractionCSP3: 0.56
AlogP: 1.95 Num_rotatable_bonds: 5
MolWt: 499.32 Num_heavy_atoms: 26
TPSA: 120.47 NumAromaticRings: 1

Sugarmoiety
SD01558

COC1C(O)C(C)OC(O)C1O.COC1OC(C)C(O)C(O)C1O