Glycoside
...
GD000337

Name:
CHROMOMYCIN

Formula:
C57H82O26

Smiles:
COC1C(O)CC(OC2CC(Oc3cc4cc5c(c(O)c4c(O)c3C)C(=O)[C@H](OC3CC(OC4CC(OC6CC(C)(O)C(OC(C)=O)C(C)O6)C(O)C(C)O4)C(O)C(C)O3)[C@H]([C@H](OC)C(=O)[C@H](O)[C@H](C)O)C5)OC(C)C2OC(C)=O)OC1C

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

Sugarmoiety:
CC(=O)OC1C(C)OC(OC2CC(OC3CC(O)OC(C)C3O)OC(C)C2O)CC1(C)O.COC(O)C(=O)C(O)C(C)O.COC1C(O)CC(OC2CC(O)OC(C)C2OC(C)=O)OC1C

Other Identifiers

Properties
HBA: 26 RingCount: 8
HBD: 8 FractionCSP3: 0.75
AlogP: 1.55 Num_rotatable_bonds: 18
MolWt: 1183.26 Num_heavy_atoms: 83
TPSA: 359.34 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
SD00144

CC(=O)OC1C(C)OC(OC2CC(OC3CC(O)OC(C)C3O)OC(C)C2O)CC1(C)O.COC(O)C(=O)C(O)C(C)O.COC1C(O)CC(OC2CC(O)OC(C)C2OC(C)=O)OC1C