Glycoside
...
GD148840

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

Formula:
C53H84O19

Smiles:
CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC12CO

Aglycone:
CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC12CO

Sugarmoiety:
CC1OC(OC2C(O)OC(C(=O)O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 10 FractionCSP3: 0.89
AlogP: 2.22 Num_rotatable_bonds: 11
MolWt: 1025.24 Num_heavy_atoms: 72
TPSA: 301.05 NumAromaticRings: 0

Unique Aglycone
AD11677
Formula: C35H56O4

Smiles:
CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC12CO
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.86
AlogP: 7.63 Num_rotatable_bonds: 3
MolWt: 540.83 Num_heavy_atoms: 39
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD05999

CC1OC(OC2C(O)OC(C(=O)O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O