Glycoside
...
GD012043

Name:
10-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-2-(hydroxymethyl)-2,6a,9,9,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Formula:
C40H64O12

Smiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3CC[C@]4(C)[C@@H]5CC=C6[C@@H]7C[C@](C)(CO)CC[C@@]7(C(=O)O)CC[C@@]6(C)[C@H]5CC[C@H]4C3(C)C)OC[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C3CCC3C(C)(C)C(O)CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 7
HBD: 7 FractionCSP3: 0.93
AlogP: 3.13 Num_rotatable_bonds: 6
MolWt: 736.94 Num_heavy_atoms: 52
TPSA: 195.6 NumAromaticRings: 0

Unique Aglycone
AD09108
Formula: C29H46O4

Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C3CCC3C(C)(C)C(O)CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 5.82 Num_rotatable_bonds: 2
MolWt: 458.68 Num_heavy_atoms: 33
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD00143

CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O