Glycoside
...
GD149393

Name:
Mithramycin Sdk

Formula:
C51H72O23

Smiles:
COC(C(=O)C(C)=O)C1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C(O)C(C)O1

Aglycone:
COC(C(=O)C(C)=O)C1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)C1O

Sugarmoiety:
CC1OC(O)CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C1O.CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 8
HBD: 9 FractionCSP3: 0.75
AlogP: 0.6 Num_rotatable_bonds: 14
MolWt: 1053.11 Num_heavy_atoms: 74
TPSA: 334.81 NumAromaticRings: 2

Unique Aglycone
AD12425
Formula: C20H20O8

Smiles:
COC(C(=O)C(C)=O)C1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)C1O
HBA: 8 RingCount: 3
HBD: 4 FractionCSP3: 0.35
AlogP: 1.15 Num_rotatable_bonds: 4
MolWt: 388.37 Num_heavy_atoms: 28
TPSA: 141.36 NumAromaticRings: 2

Sugarmoiety
SD01116

CC1OC(O)CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C1O.CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O