Glycoside
...
GD016631

Name:
MIDECAMYCIN A1

Formula:
C41H67O15N

Smiles:
CCOC(=O)[C@@H]1[C@H](C)O[C@H](O[C@@H]2[C@H](C)O[C@H](O[C@H]3[C@H](CC=O)C[C@@H](C)[C@@H](O)C=CC=CC[C@@H](C)OC(=O)C[C@@H](OC(=O)CC)[C@H]3OC)[C@H](O)[C@H]2N(C)C)C[C@]1(C)O

Aglycone:
CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C(O)C1OC.CCOC(=O)C1C(C)OC(O)CC1(C)O

Sugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 3
HBD: 3 FractionCSP3: 0.8
AlogP: 2.62 Num_rotatable_bonds: 12
MolWt: 813.98 Num_heavy_atoms: 57
TPSA: 206.05 NumAromaticRings: 0

Unique Aglycone
AD00920
Formula: C10H18O5

Smiles:
CCOC(=O)C1C(C)OC(O)CC1(C)O
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.9
AlogP: 0.04 Num_rotatable_bonds: 2
MolWt: 218.25 Num_heavy_atoms: 15
TPSA: 75.99 NumAromaticRings: 0
AD02541
Formula: C23H36O8

Smiles:
CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C(O)C1OC
HBA: 8 RingCount: 1
HBD: 2 FractionCSP3: 0.7
AlogP: 2.11 Num_rotatable_bonds: 5
MolWt: 440.53 Num_heavy_atoms: 31
TPSA: 119.36 NumAromaticRings: 0

Sugarmoiety
SD00048

CC1OC(O)C(O)C(N(C)C)C1O