Glycoside
...
GD142277

Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1,9,10,11-tetrahydroxy-9-(hydroxymethyl)-1,2,6a,6b,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Formula:
C35H56O12

Smiles:
CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(O)(CO)C5CCC43C)C2C1(C)O

Aglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(O)(CO)C5CCC43C)C2C1(C)O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 9 FractionCSP3: 0.91
AlogP: 0.13 Num_rotatable_bonds: 4
MolWt: 668.82 Num_heavy_atoms: 47
TPSA: 217.6 NumAromaticRings: 0

Unique Aglycone
AD57263
Formula: C29H46O7

Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(O)(CO)C5CCC43C)C2C1(C)O
HBA: 7 RingCount: 5
HBD: 6 FractionCSP3: 0.9
AlogP: 2.87 Num_rotatable_bonds: 2
MolWt: 506.68 Num_heavy_atoms: 36
TPSA: 138.45 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O