Glycoside
...
GD135225

Name:
2-[(4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-{[10-hydroxy-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-methyloxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C54H88O22

Smiles:
CC1OC(OC2C(CO)OC(OC3C(O)C(C)OC(OC4CCC5(C)C(CCC6(C)C5C=CC5=C7CC(C)(C)C(O)CC7(CO)CCC56C)C4(C)CO)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CC2=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CO)CC1O

Sugarmoiety:
CC1OC(OC2C(CO)OC(OC3C(O)C(C)OC(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 9
HBD: 14 FractionCSP3: 0.93
AlogP: -1.64 Num_rotatable_bonds: 12
MolWt: 1089.28 Num_heavy_atoms: 76
TPSA: 357.06 NumAromaticRings: 0

Unique Aglycone
AD54682
Formula: C30H48O4

Smiles:
CC1(C)CC2=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CO)CC1O
HBA: 4 RingCount: 5
HBD: 4 FractionCSP3: 0.87
AlogP: 5.0 Num_rotatable_bonds: 2
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD01387

CC1OC(OC2C(CO)OC(OC3C(O)C(C)OC(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O