Glycoside
...
GD131033

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

Formula:
C54H88O23

Smiles:
CC1(C)CCC2(CO)CCC3(C)C(=C2C1)C=CC1C2(C)CCC(OC4OC(COC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(CO)C2CCC13C

Aglycone:
CC1(C)CCC2(CO)CCC3(C)C(=C2C1)C=CC1C2(C)CCC(O)C(C)(CO)C2CCC13C

Sugarmoiety:
OCC1OC(OC2C(O)OC(COC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 9
HBD: 15 FractionCSP3: 0.93
AlogP: -2.67 Num_rotatable_bonds: 14
MolWt: 1105.28 Num_heavy_atoms: 77
TPSA: 377.29 NumAromaticRings: 0

Unique Aglycone
AD47472
Formula: C30H48O3

Smiles:
CC1(C)CCC2(CO)CCC3(C)C(=C2C1)C=CC1C2(C)CCC(O)C(C)(CO)C2CCC13C
HBA: 3 RingCount: 5
HBD: 3 FractionCSP3: 0.87
AlogP: 6.03 Num_rotatable_bonds: 2
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD07307

OCC1OC(OC2C(O)OC(COC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O