Glycoside
...
GD027385

Name:
LANDOMYCIN B

Formula:
C49H64O20

Smiles:
Cc1cc(O)c2c(c1)C[C@H](O)C1=C2C(=O)c2c(O)ccc(O[C@@H]3C[C@H](O)[C@H](O[C@@H]4C[C@H](O[C@@H]5CC[C@H](O[C@@H]6C[C@H](O)[C@H](O[C@@H]7C[C@H](O)[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.Cc1cc(O)c2c(c1)CC(O)C1=C2C(=O)c2c(O)ccc(O)c2C1=O

Sugarmoiety:
CC1OC(OC2CC(OC3C(O)CC(O)OC3C)OC(C)C2O)CCC1OC1CC(O)C(O)C(C)O1.OO

Other Identifiers

Properties
HBA: 20 RingCount: 9
HBD: 8 FractionCSP3: 0.67
AlogP: 1.94 Num_rotatable_bonds: 10
MolWt: 973.03 Num_heavy_atoms: 69
TPSA: 288.28 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
AD04147
Formula: C19H14O6

Smiles:
Cc1cc(O)c2c(c1)CC(O)C1=C2C(=O)c2c(O)ccc(O)c2C1=O
HBA: 6 RingCount: 4
HBD: 4 FractionCSP3: 0.16
AlogP: 1.86 Num_rotatable_bonds: 0
MolWt: 338.32 Num_heavy_atoms: 25
TPSA: 115.06 NumAromaticRings: 2

Sugarmoiety
SD00955

CC1OC(OC2CC(OC3C(O)CC(O)OC3C)OC(C)C2O)CCC1OC1CC(O)C(O)C(C)O1.OO