Glycoside
...
GD156232

Name:
Demycarosyl-Mithramycin

Formula:
C45H64O21

Smiles:
COC(C(=O)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(O)C(O)C(C)O2)C(O)C(C)O1

Aglycone:
Cc1c(O)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3

Sugarmoiety:
CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O.CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O.COC(O)C(=O)C(O)C(C)O

Other Identifiers

Properties
HBA: 21 RingCount: 7
HBD: 10 FractionCSP3: 0.73
AlogP: -0.52 Num_rotatable_bonds: 13
MolWt: 940.99 Num_heavy_atoms: 66
TPSA: 319.51 NumAromaticRings: 2

Unique Aglycone
AD00382
Formula: C15H14O5

Smiles:
Cc1c(O)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3
HBA: 5 RingCount: 3
HBD: 4 FractionCSP3: 0.27
AlogP: 1.75 Num_rotatable_bonds: 0
MolWt: 274.27 Num_heavy_atoms: 20
TPSA: 97.99 NumAromaticRings: 2

Sugarmoiety
SD05763

CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O.CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O.COC(O)C(=O)C(O)C(C)O