Glycoside
...
GD124177

Name:
Tetromycin C1

Formula:
C50H64O14

Smiles:
COc1cc(C)c(C(=O)OC2C(C)OC(OC3CCC(C)C4C3C=C(C)C3C(C)=CCCC(C)=CC5(C)C=C(C(=O)O)C(C)CC56OC(=O)C(=C6O)C(=O)C34C)C(O)C2O)c(OC)c1

Aglycone:
CC1=CC2(C)C=C(C(=O)O)C(C)CC23OC(=O)C(=C3O)C(=O)C2(C)C(C(C)=CCC1)C(C)=CC1C(O)CCC(C)C12.COc1cc(C)c(C(=O)O)c(OC)c1

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

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 4 FractionCSP3: 0.6
AlogP: 7.05 Num_rotatable_bonds: 7
MolWt: 889.05 Num_heavy_atoms: 64
TPSA: 204.58 NumAromaticRings: 1

Unique Aglycone
AD02489
Formula: C10H12O4

Smiles:
COc1cc(C)c(C(=O)O)c(OC)c1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.3
AlogP: 1.71 Num_rotatable_bonds: 3
MolWt: 196.2 Num_heavy_atoms: 14
TPSA: 55.76 NumAromaticRings: 1
AD50144
Formula: C34H44O7

Smiles:
CC1=CC2(C)C=C(C(=O)O)C(C)CC23OC(=O)C(=C3O)C(=O)C2(C)C(C(C)=CCC1)C(C)=CC1C(O)CCC(C)C12
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
SD00076

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