Glycoside
...
GD037135

Name:
Landomycin X

Formula:
C55H74O20

Smiles:
Cc1cc(O)c2c(c1)C[C@H](O)C1=C2C(=O)c2cccc(O[C@@H]3C[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)O3)c2C1=O

Aglycone:
CC1OC(O)CCC1O.CC1OC(OC2CCC(O)OC2C)CCC1O.Cc1cc(O)c2c(c1)CC(O)C1=C2C(=O)c2cccc(O)c2C1=O

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

Other Identifiers

Properties
HBA: 20 RingCount: 10
HBD: 6 FractionCSP3: 0.71
AlogP: 4.18 Num_rotatable_bonds: 12
MolWt: 1055.18 Num_heavy_atoms: 75
TPSA: 266.28 NumAromaticRings: 2

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
AD04363
Formula: C19H14O5

Smiles:
Cc1cc(O)c2c(c1)CC(O)C1=C2C(=O)c2cccc(O)c2C1=O
HBA: 5 RingCount: 4
HBD: 3 FractionCSP3: 0.16
AlogP: 2.16 Num_rotatable_bonds: 0
MolWt: 322.32 Num_heavy_atoms: 24
TPSA: 94.83 NumAromaticRings: 2

Sugarmoiety
SD03091

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