Glycoside
...
GD115422

Name:
3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-6-{[7,8,9,10-tetrahydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-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}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:
C52H84O25

Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C7O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C2(CO)C(O)C1O

Aglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C2(CO)C(O)C1O

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1OC1OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 9
HBD: 16 FractionCSP3: 0.94
AlogP: -4.31 Num_rotatable_bonds: 12
MolWt: 1109.22 Num_heavy_atoms: 77
TPSA: 414.59 NumAromaticRings: 0

Unique Aglycone
AD01383
Formula: C30H50O6

Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C2(CO)C(O)C1O
HBA: 6 RingCount: 5
HBD: 6 FractionCSP3: 0.93
AlogP: 3.02 Num_rotatable_bonds: 1
MolWt: 506.72 Num_heavy_atoms: 36
TPSA: 121.38 NumAromaticRings: 0

Sugarmoiety
SD02220

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1OC1OC(CO)C(O)C1O