Glycoside
...
GD126548

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

Formula:
C49H82O18

Smiles:
CC1CC2(C)C(CC=C3C4CC(C)(C)CCC4(C)C(OC4OC(CO)C(O)C(O)C4O)CC32C)C2(C)CCC(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(C)(CO)C12

Aglycone:
CC1CC2(C)C(CC=C3C4CC(C)(C)CCC4(C)C(O)CC32C)C2(C)CCC(O)C(C)(CO)C12

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

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 12 FractionCSP3: 0.96
AlogP: -0.17 Num_rotatable_bonds: 10
MolWt: 959.18 Num_heavy_atoms: 67
TPSA: 298.14 NumAromaticRings: 0

Unique Aglycone
AD51219
Formula: C31H52O3

Smiles:
CC1CC2(C)C(CC=C3C4CC(C)(C)CCC4(C)C(O)CC32C)C2(C)CCC(O)C(C)(CO)C12
HBA: 3 RingCount: 5
HBD: 3 FractionCSP3: 0.94
AlogP: 6.36 Num_rotatable_bonds: 1
MolWt: 472.75 Num_heavy_atoms: 34
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD00069

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