Glycoside
...
GD141420

Name:
Mithramycin Sk

Formula:
C51H74O23

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: 10 FractionCSP3: 0.76
AlogP: 0.39 Num_rotatable_bonds: 14
MolWt: 1055.13 Num_heavy_atoms: 74
TPSA: 337.97 NumAromaticRings: 2

Unique Aglycone
AD02291
Formula: C20H22O8

Smiles:
COC(C(O)C(C)=O)C1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)C1O
HBA: 8 RingCount: 3
HBD: 5 FractionCSP3: 0.4
AlogP: 0.95 Num_rotatable_bonds: 4
MolWt: 390.39 Num_heavy_atoms: 28
TPSA: 144.52 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