Glycoside
...
GD007053

Name:
10-[(3,5-dihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-octadecahydropicen-5-one

Formula:
C42H66O13

Smiles:
C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@]4(C)[C@H]3C=CC3=C5CC(C)(C)CC[C@@]5(CO)C(=O)C[C@]34C)[C@@]2(C)CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O

Aglycone:
CC1(C)CCC2(CO)C(=O)CC3(C)C(=C2C1)C=CC1C2(C)CCC(O)C(C)(CO)C2CCC13C

Sugarmoiety:
CC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 7
HBD: 8 FractionCSP3: 0.88
AlogP: 1.89 Num_rotatable_bonds: 7
MolWt: 778.98 Num_heavy_atoms: 55
TPSA: 215.83 NumAromaticRings: 0

Unique Aglycone
AD05771
Formula: C30H46O4

Smiles:
CC1(C)CCC2(CO)C(=O)CC3(C)C(=C2C1)C=CC1C2(C)CCC(O)C(C)(CO)C2CCC13C
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.83
AlogP: 5.21 Num_rotatable_bonds: 2
MolWt: 470.69 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD00046

CC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O