Glycoside
...
GD033044

Name:
Landomycin Y

Formula:
C55H72O19

Smiles:
Cc1cc(O)c2c3c(ccc2c1)C(=O)c1c(O[C@@H]2C[C@H](O)[C@H](O[C@@H]4C[C@H](O[C@@H]5CC[C@H](O[C@@H]6CC[C@H](O[C@@H]7C[C@H](O[C@@H]8CC[C@H](O)[C@H](C)O8)[C@H](O)[C@H](C)O7)[C@H](C)O6)[C@H](C)O5)[C@H](O)[C@H](C)O4)[C@H](C)O2)cccc1C3=O

Aglycone:
CC1OC(O)CCC1O.CC1OC(OC2CCC(O)OC2C)CCC1O.Cc1cc(O)c2c3c(ccc2c1)C(=O)c1c(O)cccc1C3=O

Sugarmoiety:
CC1OC(OC2CC(OC3C(O)CC(O)OC3C)OC(C)C2O)CCC1O

Other Identifiers

Properties
HBA: 19 RingCount: 10
HBD: 5 FractionCSP3: 0.67
AlogP: 5.36 Num_rotatable_bonds: 12
MolWt: 1037.16 Num_heavy_atoms: 74
TPSA: 246.05 NumAromaticRings: 3

Unique Aglycone
AD00171
Formula: C6H12O3

Smiles:
CC1OC(O)CCC1O
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 1.0
AlogP: -0.14 Num_rotatable_bonds: 0
MolWt: 132.16 Num_heavy_atoms: 9
TPSA: 49.69 NumAromaticRings: 0
AD01640
Formula: C12H22O5

Smiles:
CC1OC(OC2CCC(O)OC2C)CCC1O
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 2
MolWt: 246.3 Num_heavy_atoms: 17
TPSA: 68.15 NumAromaticRings: 0
AD02304
Formula: C19H12O4

Smiles:
Cc1cc(O)c2c3c(ccc2c1)C(=O)c1c(O)cccc1C3=O
HBA: 4 RingCount: 4
HBD: 2 FractionCSP3: 0.05
AlogP: 3.33 Num_rotatable_bonds: 0
MolWt: 304.3 Num_heavy_atoms: 23
TPSA: 74.6 NumAromaticRings: 3

Sugarmoiety
SD03091

CC1OC(OC2CC(OC3C(O)CC(O)OC3C)OC(C)C2O)CCC1O