Glycoside
...
GD027219

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

Formula:
C42H72O14

Smiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3C[C@]4(C)[C@H](C[C@H](O)[C@@H]5[C@H]([C@]6(C)CC[C@H](C(C)(C)O)O6)CC[C@]54C)[C@]4(C)CC[C@H](O)C(C)(C)[C@H]34)O[C@@H](CO)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC(C)(O)C1CCC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4C(O)CC23C)O1

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

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 9 FractionCSP3: 1.0
AlogP: 1.36 Num_rotatable_bonds: 7
MolWt: 801.02 Num_heavy_atoms: 56
TPSA: 228.22 NumAromaticRings: 0

Unique Aglycone
AD00139
Formula: C30H52O5

Smiles:
CC(C)(O)C1CCC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4C(O)CC23C)O1
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 1.0
AlogP: 4.68 Num_rotatable_bonds: 2
MolWt: 492.74 Num_heavy_atoms: 35
TPSA: 90.15 NumAromaticRings: 0

Sugarmoiety
SD00163

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