Glycoside
...
GD136920

Name:
Calysolin Iv

Formula:
C62H104O32

Smiles:
CC=C(C)C(=O)OC1C(O)C(OC2C(O)C(C)OC(OC3C4OC(CO)C(O)C3OC3OC(CO)C(O)C(O)C3OC(=O)CCCCCCCCCC(CCCCC)OC3OC(C)C(O)C(O)C3O4)C2OC(=O)C(C)CC)OC(CO)C1OC1OC(CO)C(O)C(O)C1O

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

Sugarmoiety:
CC1OC(O)C(O)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 32 RingCount: 7
HBD: 14 FractionCSP3: 0.92
AlogP: -2.88 Num_rotatable_bonds: 19
MolWt: 1361.48 Num_heavy_atoms: 94
TPSA: 472.88 NumAromaticRings: 0

Unique Aglycone
AD00342
Formula: C5H8O2

Smiles:
CC=C(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.4
AlogP: 1.04 Num_rotatable_bonds: 1
MolWt: 100.12 Num_heavy_atoms: 7
TPSA: 37.3 NumAromaticRings: 0
AD00363
Formula: C5H10O2

Smiles:
CCC(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.8
AlogP: 1.12 Num_rotatable_bonds: 2
MolWt: 102.13 Num_heavy_atoms: 7
TPSA: 37.3 NumAromaticRings: 0
AD55335
Formula: C34H60O16

Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(OC(CO)C(O)C2O)OC2C(O)C(CO)OC(OC3C(O1)OC(C)C(O)C3O)C2O
HBA: 16 RingCount: 4
HBD: 8 FractionCSP3: 0.97
AlogP: -0.5 Num_rotatable_bonds: 6
MolWt: 724.84 Num_heavy_atoms: 50
TPSA: 243.52 NumAromaticRings: 0

Sugarmoiety
SD06264

CC1OC(O)C(O)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C1O