Glycoside
...
GD157800

Name:
demethyl chromomycin a4

Formula:
C54H78O25

Smiles:
COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(OC4CC(OC5CC(O)C(OC)C(C)O5)C(OC(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)CO1

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

Sugarmoiety:
CC1OC(OC2CC(O)OCC2O)CC(OC2CC(C)(O)C(O)C(C)O2)C1O.COC(O)C(=O)C(O)C(C)O.COC1C(O)CC(OC2CC(O)OC(C)C2OC(C)=O)OC1C

Other Identifiers

Properties
HBA: 25 RingCount: 8
HBD: 9 FractionCSP3: 0.76
AlogP: 0.59 Num_rotatable_bonds: 17
MolWt: 1127.19 Num_heavy_atoms: 79
TPSA: 353.27 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
SD08825

CC1OC(OC2CC(O)OCC2O)CC(OC2CC(C)(O)C(O)C(C)O2)C1O.COC(O)C(=O)C(O)C(C)O.COC1C(O)CC(OC2CC(O)OC(C)C2OC(C)=O)OC1C