Glycoside
...
GD156051

Name:
Tetromycin 1

Formula:
C50H65O13N

Smiles:
COc1cc(C)c(C(O)=NC2C(C)OC(OC3CC(C)=CC4C3CC(C)C3C(C)=CCCC(C)=CC5(C)C=C(C(=O)O)C(C)CC56OC(=O)C(=C(O)C43C)C6=O)C(O)C2(C)O)c(O)c1

Aglycone:
CC1=CC2(C)C=C(C(=O)O)C(C)CC23OC(=O)C(=C(O)C2(C)C4C=C(C)CC(O)C4CC(C)C2C(C)=CCC1)C3=O.COc1cc(C)c(C(=N)O)c(O)c1

Sugarmoiety:
CC1OC(O)C(O)C(C)(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 6 FractionCSP3: 0.6
AlogP: 7.29 Num_rotatable_bonds: 6
MolWt: 888.06 Num_heavy_atoms: 64
TPSA: 221.87 NumAromaticRings: 1

Unique Aglycone
AD46907
Formula: C9H11O3N

Smiles:
COc1cc(C)c(C(=N)O)c(O)c1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.22
AlogP: 1.59 Num_rotatable_bonds: 2
MolWt: 181.19 Num_heavy_atoms: 13
TPSA: 73.54 NumAromaticRings: 1
AD53337
Formula: C34H44O7

Smiles:
CC1=CC2(C)C=C(C(=O)O)C(C)CC23OC(=O)C(=C(O)C2(C)C4C=C(C)CC(O)C4CC(C)C2C(C)=CCC1)C3=O
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.62
AlogP: 6.01 Num_rotatable_bonds: 1
MolWt: 564.72 Num_heavy_atoms: 41
TPSA: 121.13 NumAromaticRings: 0

Sugarmoiety
SD00517

CC1OC(O)C(O)C(C)(O)C1O