Glycoside
...
GD139931

Name:
Calysolin I

Formula:
C50H86O23

Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(OC(CO)C(O)C2OC(=O)C(C)CC)OC2C(O)C(CO)OC(OC3C(O1)OC(C)C(O)C3O)C2OC1OC(C)C(O)C(O)C1OC(=O)C(C)C(C)O

Aglycone:
CC(O)C(C)C(=O)O.CCCCCC1CCCCCCCCCC(=O)OC2C(OC(CO)C(O)C2OC(=O)C(C)CC)OC2C(O)C(CO)OC(OC3C(O1)OC(C)C(O)C3O)C2O

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

Other Identifiers

Properties
HBA: 23 RingCount: 5
HBD: 9 FractionCSP3: 0.94
AlogP: 0.52 Num_rotatable_bonds: 14
MolWt: 1055.22 Num_heavy_atoms: 73
TPSA: 334.81 NumAromaticRings: 0

Unique Aglycone
AD02264
Formula: C5H10O3

Smiles:
CC(O)C(C)C(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.8
AlogP: 0.09 Num_rotatable_bonds: 2
MolWt: 118.13 Num_heavy_atoms: 8
TPSA: 57.53 NumAromaticRings: 0
AD46503
Formula: C39H68O17

Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(OC(CO)C(O)C2OC(=O)C(C)CC)OC2C(O)C(CO)OC(OC3C(O1)OC(C)C(O)C3O)C2O
HBA: 17 RingCount: 4
HBD: 7 FractionCSP3: 0.95
AlogP: 1.1 Num_rotatable_bonds: 9
MolWt: 808.96 Num_heavy_atoms: 56
TPSA: 249.59 NumAromaticRings: 0

Sugarmoiety
SD00076

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