Glycoside

GD115054
Name:
Landomycin ZFormula:
C49H64O18Smiles:
Cc1cc(O)c2c(c1)CC(O)C1=C2C(=O)c2cccc(OC3CC(O)C(OC4CC(OC5CCC(OC6CCC(OC7CC(O)C(O)C(C)O7)C(C)O6)C(C)O5)C(O)C(C)O4)C(C)O3)c2C1=OAglycone:
CC1OC(OC2CCC(O)OC2C)CCC1O.Cc1cc(O)c2c(c1)CC(O)C1=C2C(=O)c2cccc(O)c2C1=OSugarmoiety:
CC1OC(OC2CC(OC3C(O)CC(O)OC3C)OC(C)C2O)CCC1O.OOOther Identifiers
Properties
HBA: | 18 | RingCount: | 9 |
HBD: | 6 | FractionCSP3: | 0.67 |
AlogP: | 3.27 | Num_rotatable_bonds: | 10 |
MolWt: | 941.03 | Num_heavy_atoms: | 67 |
TPSA: | 247.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD01640
Formula: C12H22O5
Smiles:
CC1OC(OC2CCC(O)OC2C)CCC1OHBA: | 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=OHBA: | 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 |