Glycoside
...
GD149869

Name:
Martinomycin

Formula:
C49H84O17

Smiles:
COC1CCC(OC2C(C)C(C3CCC(C4CCC(C5(C)OC6(OC(CC7OC(O)(C(C)C(=O)O)C(C)C(OC)C7(C)OC)CC(OC)C6C)C(C)C5OC)O4)O3)OC(C)(O)C2C)OC1C

Aglycone:
CCC(=O)O.COC1CCC(OC2C(C)C(C3CCC(C4CCC(C5(C)OC6(OC(C)CC(OC)C6C)C(C)C5OC)O4)O3)OC(C)(O)C2C)OC1C

Sugarmoiety:
COC1C(C)C(O)(O)OC(O)C1(C)OC

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 3 FractionCSP3: 0.98
AlogP: 5.22 Num_rotatable_bonds: 14
MolWt: 945.19 Num_heavy_atoms: 66
TPSA: 197.75 NumAromaticRings: 0

Unique Aglycone
AD00155
Formula: C3H6O2

Smiles:
CCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: 0.48 Num_rotatable_bonds: 1
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 37.3 NumAromaticRings: 0
AD57091
Formula: C37H64O11

Smiles:
COC1CCC(OC2C(C)C(C3CCC(C4CCC(C5(C)OC6(OC(C)CC(OC)C6C)C(C)C5OC)O4)O3)OC(C)(O)C2C)OC1C
HBA: 11 RingCount: 6
HBD: 1 FractionCSP3: 1.0
AlogP: 4.98 Num_rotatable_bonds: 8
MolWt: 684.91 Num_heavy_atoms: 48
TPSA: 112.53 NumAromaticRings: 0

Sugarmoiety
SD05716

COC1C(C)C(O)(O)OC(O)C1(C)OC