Glycoside
...
GD149134

Name:
ethyl 3,4-dihydroxy-6-[(9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylate

Formula:
C44H72O13

Smiles:
CCOC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(O)C5(C)CCC34C)C2(C)C)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Aglycone:
CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.CCOC=O

Sugarmoiety:
OCC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 7
HBD: 7 FractionCSP3: 0.93
AlogP: 3.36 Num_rotatable_bonds: 7
MolWt: 809.05 Num_heavy_atoms: 57
TPSA: 204.83 NumAromaticRings: 0

Unique Aglycone
AD10917
Formula: C3H6O2

Smiles:
CCOC=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 2
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD45747
Formula: C30H50O2

Smiles:
CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 2 RingCount: 5
HBD: 2 FractionCSP3: 0.93
AlogP: 7.14 Num_rotatable_bonds: 0
MolWt: 442.73 Num_heavy_atoms: 32
TPSA: 40.46 NumAromaticRings: 0

Sugarmoiety
SD00287

OCC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O