Glycoside
...
GD028773

Name:
2-[(2-{[7,11-dihydroxy-3a,3b,6,6,9a-pentamethyl-1-(6-methylhepta-2,5-dien-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:
C42H70O12

Smiles:
CC(C)=CCC=C(C)[C@@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)C[C@]12C

Aglycone:
CC(C)=CCC=C(C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C

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

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 8 FractionCSP3: 0.9
AlogP: 2.95 Num_rotatable_bonds: 8
MolWt: 767.01 Num_heavy_atoms: 54
TPSA: 198.76 NumAromaticRings: 0

Unique Aglycone
AD00236
Formula: C30H50O3

Smiles:
CC(C)=CCC=C(C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C
HBA: 3 RingCount: 4
HBD: 3 FractionCSP3: 0.87
AlogP: 6.28 Num_rotatable_bonds: 3
MolWt: 458.73 Num_heavy_atoms: 33
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD00163

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