Glycoside
...
GD118932

Name:
Trioxacarcin E

Formula:
C34H44O18

Smiles:
COc1c2c(c(O)c3c4c(c(C)cc13)C(O)C1OC(O)(C(OC)OC)C(O)(CO)C1(O)O4)C(=O)C(O)CC2OC1CC(C)(O)C(OC(C)=O)C(C)O1

Aglycone:
COc1c2c(c(O)c3c4c(c(C)cc13)C(O)C1OC(O)(C(OC)OC)C(O)(CO)C1(O)O4)C(=O)C(O)CC2O

Sugarmoiety:
CC(=O)OC1C(C)OC(O)CC1(C)O

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 8 FractionCSP3: 0.65
AlogP: -0.77 Num_rotatable_bonds: 8
MolWt: 740.71 Num_heavy_atoms: 52
TPSA: 269.82 NumAromaticRings: 2

Unique Aglycone
AD47594
Formula: C25H30O14

Smiles:
COc1c2c(c(O)c3c4c(c(C)cc13)C(O)C1OC(O)(C(OC)OC)C(O)(CO)C1(O)O4)C(=O)C(O)CC2O
HBA: 14 RingCount: 5
HBD: 8 FractionCSP3: 0.56
AlogP: -1.61 Num_rotatable_bonds: 5
MolWt: 554.5 Num_heavy_atoms: 39
TPSA: 225.06 NumAromaticRings: 2

Sugarmoiety
SD03331

CC(=O)OC1C(C)OC(O)CC1(C)O