Glycoside
...
GD155807

Name:
Tetromycin 3

Formula:
C48H60O14

Smiles:
COc1cc(O)cc(C)c1C(=O)OC1C(C)OC(OC2CC=C(C)C3C2CC(C)C2C(C)=CCCC(C)=CC4C=C(C(=O)O)C(C)CC45OC(=O)C(=C(O)C23C)C5=O)C(O)C1O

Aglycone:
CC1=CC2C=C(C(=O)O)C(C)CC23OC(=O)C(=C(O)C2(C)C(C(C)=CCC1)C(C)CC1C(O)CC=C(C)C12)C3=O.COc1cc(O)cc(C)c1C(=O)O

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

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 5 FractionCSP3: 0.58
AlogP: 6.36 Num_rotatable_bonds: 6
MolWt: 860.99 Num_heavy_atoms: 62
TPSA: 215.58 NumAromaticRings: 1

Unique Aglycone
AD08265
Formula: C9H10O4

Smiles:
COc1cc(O)cc(C)c1C(=O)O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.22
AlogP: 1.41 Num_rotatable_bonds: 2
MolWt: 182.17 Num_heavy_atoms: 13
TPSA: 66.76 NumAromaticRings: 1
AD61758
Formula: C33H42O7

Smiles:
CC1=CC2C=C(C(=O)O)C(C)CC23OC(=O)C(=C(O)C2(C)C(C(C)=CCC1)C(C)CC1C(O)CC=C(C)C12)C3=O
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.61
AlogP: 5.62 Num_rotatable_bonds: 1
MolWt: 550.69 Num_heavy_atoms: 40
TPSA: 121.13 NumAromaticRings: 0

Sugarmoiety
SD00076

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