Glycoside
...
GD036116

Name:
5-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-6-[(11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,14a,14b-octadecahydropicen-3-yl)oxy]-3,4-dihydroxyoxane-2-carboxylic acid

Formula:
C42H62O15

Smiles:
CC1(C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@@H]3C=CC4=C5C[C@@](C)(C(=O)O)CC[C@@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12

Aglycone:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=C2C1)C=CC1C2(C)CCC(O)C(C)(C)C2CCC13C

Sugarmoiety:
O=C(O)C1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 8 FractionCSP3: 0.83
AlogP: 2.99 Num_rotatable_bonds: 7
MolWt: 806.94 Num_heavy_atoms: 57
TPSA: 249.97 NumAromaticRings: 0

Unique Aglycone
AD22808
Formula: C30H46O3

Smiles:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=C2C1)C=CC1C2(C)CCC(O)C(C)(C)C2CCC13C
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.83
AlogP: 7.15 Num_rotatable_bonds: 1
MolWt: 454.7 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD00609

O=C(O)C1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O