Glycoside
...
GD139347

Name:
Polyketomycin

Formula:
C44H48O18

Smiles:
COC1=CC(=O)c2c(O)c3c(c(C)c2C1=O)CC1(O)C(OC2CCC(OC4CC(C)(O)C(OC(=O)c5c(C)ccc(C)c5O)C(C)O4)C(C)O2)C(=O)C(=C(C)O)C(=O)C1(O)C3=O

Aglycone:
COC1=CC(=O)c2c(O)c3c(c(C)c2C1=O)CC1(O)C(OC2CCC(O)C(C)O2)C(=O)C(=C(C)O)C(=O)C1(O)C3=O.Cc1ccc(C)c(C(=O)O)c1O

Sugarmoiety:
CC1OC(O)CC(C)(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 6 FractionCSP3: 0.5
AlogP: 2.52 Num_rotatable_bonds: 7
MolWt: 864.85 Num_heavy_atoms: 62
TPSA: 279.18 NumAromaticRings: 2

Unique Aglycone
AD51454
Formula: C9H10O3

Smiles:
Cc1ccc(C)c(C(=O)O)c1O
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.22
AlogP: 1.71 Num_rotatable_bonds: 1
MolWt: 166.18 Num_heavy_atoms: 12
TPSA: 57.53 NumAromaticRings: 1
AD56190
Formula: C28H28O13

Smiles:
COC1=CC(=O)c2c(O)c3c(c(C)c2C1=O)CC1(O)C(OC2CCC(O)C(C)O2)C(=O)C(=C(C)O)C(=O)C1(O)C3=O
HBA: 13 RingCount: 5
HBD: 5 FractionCSP3: 0.46
AlogP: 0.07 Num_rotatable_bonds: 3
MolWt: 572.52 Num_heavy_atoms: 41
TPSA: 214.19 NumAromaticRings: 1

Sugarmoiety
SD00693

CC1OC(O)CC(C)(O)C1O