Glycoside
...
GD150707

Name:
3-hydroxy-4,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-6-{[7,8,9-trihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-[(2-methylbut-2-enoyl)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}oxane-2-carboxylic acid

Formula:
C53H84O23

Smiles:
CC=C(C)C(=O)OC1C(O)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O

Aglycone:
CC=C(C)C(=O)OC1C(O)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O

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

Other Identifiers

Properties
HBA: 23 RingCount: 8
HBD: 14 FractionCSP3: 0.89
AlogP: -1.89 Num_rotatable_bonds: 12
MolWt: 1089.23 Num_heavy_atoms: 76
TPSA: 381.97 NumAromaticRings: 0

Unique Aglycone
AD04678
Formula: C35H56O7

Smiles:
CC=C(C)C(=O)OC1C(O)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O
HBA: 7 RingCount: 5
HBD: 5 FractionCSP3: 0.86
AlogP: 4.54 Num_rotatable_bonds: 3
MolWt: 588.83 Num_heavy_atoms: 42
TPSA: 127.45 NumAromaticRings: 0

Sugarmoiety
SD00049

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