Glycoside
...
GD121303

Name:
methyl 3-ethenyl-4-(2-oxo-2-{[2,3,12-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-4-yl]methoxy}ethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate

Formula:
C53H80O21

Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCC1(C)C(O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3C(C(=O)OC4OC(CO)C(O)C(O)C4O)(CCC(C)C3(C)O)CCC21C

Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC(=O)OCC1(C)C(O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3C(C(=O)O)(CCC(C)C3(C)O)CCC21C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 11 FractionCSP3: 0.83
AlogP: 0.0 Num_rotatable_bonds: 12
MolWt: 1053.2 Num_heavy_atoms: 74
TPSA: 338.35 NumAromaticRings: 0

Unique Aglycone
AD48820
Formula: C41H60O11

Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC(=O)OCC1(C)C(O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3C(C(=O)O)(CCC(C)C3(C)O)CCC21C
HBA: 11 RingCount: 6
HBD: 5 FractionCSP3: 0.78
AlogP: 4.91 Num_rotatable_bonds: 7
MolWt: 728.92 Num_heavy_atoms: 52
TPSA: 180.05 NumAromaticRings: 0

Sugarmoiety
SD00019

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O